data_[Cs4Li4Cd4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0300]
_cell_length_b [4.4972]
_cell_length_c [10.2360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsLiCdSe2]
_chemical_formula_sum '[Cs4 Li4 Cd4 Se8]'
_cell_volume [638.3690]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.1547  0.5000  0.6623  1.0
  Li  Li1  4  0.1777  0.5000  0.0582  1.0
  Cd  Cd2  4  0.0544  0.0000  0.1702  1.0
  Se  Se3  4  0.1223  0.5000  0.2981  1.0
  Se  Se4  4  0.1334  0.0000  0.9363  1.0
]