data_[Cs16Ga16Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.1101]
_cell_length_b [13.7229]
_cell_length_c [17.1152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Cs2Ga2Bi]
_chemical_formula_sum '[Cs16 Ga16 Bi8]'
_cell_volume [1669.9510]
_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  16  0.0000  0.1596  0.3577  1
  Ga  Ga1  8  0.0000  0.1318  0.0000  1
  Ga  Ga2  8  0.2300  0.0000  0.5000  1
  Bi  Bi3  8  0.0000  0.0000  0.1469  1
]