data_[Cd2Ir4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6725]
_cell_length_b [2.9167]
_cell_length_c [5.1095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4576]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdIr2Se]
_chemical_formula_sum '[Cd2 Ir4 Se2]'
_cell_volume [144.7802]
_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
[
  Cd  Cd0  2  0.2368  0.5000  0.2701  1
  Ir  Ir1  2  0.2477  0.0000  0.7915  1
  Ir  Ir2  2  0.4761  0.5000  0.8795  1
  Se  Se3  2  0.0394  0.5000  0.5589  1
]