data_[Cs8Cd4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [15.6161]
_cell_length_b [7.4716]
_cell_length_c [10.5049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2583]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2CdSe4]
_chemical_formula_sum '[Cs8 Cd4 Se16]'
_cell_volume [1069.3130]
_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  0.0959  0.5000  0.3775  1
  Cs  Cs1  4  0.1420  0.0000  0.7742  1
  Cd  Cd2  4  0.1809  0.0000  0.2352  1
  Se  Se3  8  0.0760  0.3078  0.0104  1
  Se  Se4  4  0.1266  0.0000  0.4227  1
  Se  Se5  4  0.1812  0.5000  0.8267  1
]