data_[Cs8Zn4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5144]
_cell_length_b [7.1411]
_cell_length_c [11.4049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.6703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2ZnSe2]
_chemical_formula_sum '[Cs8 Zn4 Se8]'
_cell_volume [929.0420]
_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  0.1004  0.0000  0.8183  1.0
  Cs  Cs1  4  0.1690  0.5000  0.5389  1.0
  Zn  Zn2  4  0.1233  0.5000  0.1585  1.0
  Se  Se3  4  0.0594  0.5000  0.8940  1.0
  Se  Se4  4  0.1823  0.0000  0.5955  1.0
]