data_[Cs4Zn4Se6]
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 [14.2097]
_cell_length_b [4.3011]
_cell_length_c [9.0166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Zn2Se3]
_chemical_formula_sum '[Cs4 Zn4 Se6]'
_cell_volume [461.1130]
_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  0.0665  0.5000  0.3455  1.0
  Zn  Zn1  4  0.1914  0.0000  0.0620  1.0
  Se  Se2  4  0.1973  0.0000  0.7805  1.0
  Se  Se3  2  0.0000  0.0000  0.0000  1.0
]