是这个吗？


#(C) 2020 by FIZ Karlsruhe - Leibniz Institute for Information Infrastructure.  All rights reserved.
data_424384-ICSD
_database_code_ICSD 424384
_audit_creation_date 2013-02-01
_chemical_name_common 'Sodium gadolinium fluoride (1.5/1.5/6)'
_chemical_formula_structural '(Na1.5 Gd1.5) F6'
_chemical_formula_sum 'F6 Gd1.5 Na1.5'
_chemical_name_structure_type Na(Na,Nd)NdF6
_exptl_crystal_density_diffrn 5.6
_diffrn_ambient_temperature 293.
_citation_title

;
Crystal structures and stability of Na Ln F4 (Ln = La, Ce, Pr, Nd, Sm, and Gd)
studied with synchrotron single-crystal and powder diffraction
;
loop_
_citation_id
_citation_journal_full
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Dalton Transactions' 2012 41 10258 10266 DTARAF
loop_
_citation_author_citation_id
_citation_author_name
primary 'Grzechnik, A.'
primary 'Friese, K.'
_cell_length_a 6.040(1)
_cell_length_b 6.040(1)
_cell_length_c 3.6100(6)
_cell_angle_alpha 90.
_cell_angle_beta 90.
_cell_angle_gamma 120.
_cell_volume 114.05
_cell_formula_units_Z 1
_space_group_name_H-M_alt 'P -6'
_space_group_IT_number 174
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 '-x+y, -x, -z'
2 '-y, x-y, -z'
3 'x, y, -z'
4 '-x+y, -x, z'
5 '-y, x-y, z'
6 'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Gd3+ 3
Na1+ 1
Gd3+ 3
F1- -1
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
Gd1 Gd3+ 1 a 0 0 0 0.01000(12) 1
Na1 Na1+ 2 h 0.333333 0.666667 0.581(3) 0.0195(19) 0.5
Na2 Na1+ 1 f 0.666667 0.333333 0.5 0.00470(15) 0.5
Gd2 Gd3+ 1 f 0.666667 0.333333 0.5 0.00470(15) 0.5
F1 F1- 3 j 0.6393(12) 0.0488(13) 0 0.029(2) 1
F2 F1- 3 k 0.7333(8) 0.7536(8) 0.5 0.0125(11) 1
loop_
_atom_site_aniso_label
_atom_site_aniso_type_symbol
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Gd1 Gd3+ 0.00986(14) 0.00986(14) 0.0103(2) 0.00493(7) 0 0
Na1 Na1+ 0.019(2) 0.019(2) 0.020(4) 0.0096(10) 0 0
Na2 Na1+ 0.00463(18) 0.00463(18) 0.0048(3) 0.00231(9) 0 0
Gd2 Gd3+ 0.00463(18) 0.00463(18) 0.0048(3) 0.00231(9) 0 0
F1 F1- 0.0124(18) 0.016(2) 0.060(6) 0.0071(14) 0 0
F2 F1- 0.0150(15) 0.0090(12) 0.0118(13) 0.0048(12) 0 0
#End of TTdata_424384-ICSD，

把除过汉字的内容粘贴到txt文件里，然后把后缀名改为cif就ok了。