data_[Cs2Zn2Bi2]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6957]
_cell_length_b [7.0205]
_cell_length_c [9.1717]
_cell_angle_alpha [104.3407]
_cell_angle_beta [92.0117]
_cell_angle_gamma [109.4173]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsZnBi]
_chemical_formula_sum '[Cs2 Zn2 Bi2]'
_cell_volume [273.9829]
_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  1  0.0000  0.5000  0.5000  1.0
  Cs  Cs1  1  0.5000  0.5000  0.0000  1.0
  Zn  Zn2  2  0.2641  0.0566  0.5846  1.0
  Bi  Bi3  2  0.2555  0.9741  0.2544  1.0
]