data_[Cs8Zn8In8]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.8242]
_cell_length_b [4.5089]
_cell_length_c [11.5391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsZnIn]
_chemical_formula_sum '[Cs8 Zn8 In8]'
_cell_volume [1031.0767]
_cell_formula_units_Z [8]
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  0.0523  0.0000  0.3543  1.0
  Cs  Cs1  4  0.1601  0.0000  0.0578  1.0
  Zn  Zn2  4  0.1771  0.0000  0.6987  1.0
  Zn  Zn3  4  0.1968  0.5000  0.6093  1.0
  In  In4  4  0.1143  0.5000  0.7431  1.0
  In  In5  4  0.2162  0.5000  0.3896  1.0
]