data_[Cs4Zn4Cu2Se8]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9239]
_cell_length_b [3.9140]
_cell_length_c [7.8191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1271]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Zn2CuSe4]
_chemical_formula_sum '[Cs4 Zn4 Cu2 Se8]'
_cell_volume [524.2103]
_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
[
  Cs  Cs0  4  0.1189  0.0000  0.5116  1.0
  Zn  Zn1  4  0.1778  0.5000  0.0003  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0370  0.5000  0.8350  1.0
  Se  Se4  4  0.2280  0.0000  0.1941  1.0
]