data_[Cr2Cd4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.3768]
_cell_length_b [3.4463]
_cell_length_c [6.8958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrCd2Se]
_chemical_formula_sum '[Cr2 Cd4 Se2]'
_cell_volume [189.3108]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Cr  Cr0  2  0.0144  0.5000  0.3954  1
  Cd  Cd1  2  0.2040  0.0000  0.7387  1
  Cd  Cd2  2  0.4834  0.5000  0.0105  1
  Se  Se3  2  0.2982  0.5000  0.3555  1
]