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#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1

_chemical_name_common                  'sm_isp_SD0532193-standardized_unitcell'
_cell_length_a                         4.606000
_cell_length_b                         4.606000
_cell_length_c                         4.346000
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      120.000000
_cell_volume                           79.848770
_space_group_name_H-M_alt              'P 6 3 2'
_space_group_IT_number                 182

loop_
_space_group_symop_operation_xyz
   'x, y, z'
   '-y, x-y, z'
   '-x+y, -x, z'
   '-x, -y, z+1/2t'
   'y, -x+y, z+1/2t'
   'x-y, x, z+1/2t'
   'y, x, -z'
   'x-y, -y, -z'
   '-x, -x+y, -z'
   '-y, -x, -z+1/2t'
   '-x+y, y, -z+1/2t'
   'x, x-y, -z+1/2t'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_U_iso_or_equiv
   _atom_site_type_symbol
   Co1        1.0     0.324900     0.000000     0.000000    Uiso  ? Co
   N1         1.0     0.333333     0.666667     0.250000    Uiso  ? N

#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_2

_chemical_name_common                  'sm_isp_SD0532193-niggli_reduced_cell'
_cell_length_a                         4.346000
_cell_length_b                         4.606000
_cell_length_c                         4.606000
_cell_angle_alpha                      120.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      90.000000
_cell_volume                           79.848770
_space_group_name_H-M_alt              'P 1'
_space_group_IT_number                 1

loop_
_space_group_symop_operation_xyz
   'x, y, z'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_U_iso_or_equiv
   _atom_site_type_symbol
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