data_[Cs2Ga6Bi6]
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 [Pm-3n]
_cell_length_a [8.0659]
_cell_length_b [8.0659]
_cell_length_c [8.0659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [223]
_chemical_formula_structural [Cs(GaBi)3]
_chemical_formula_sum '[Cs2 Ga6 Bi6]'
_cell_volume [524.7488]
_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  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  6  0.0000  0.2500  0.5000  1.0
  Bi  Bi2  6  0.0000  0.5000  0.2500  1.0
]