data_[Cs8Bi2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Bi  2.0200  1.6000  1.0350
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9910]
_cell_length_b [8.5222]
_cell_length_c [11.1461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0296]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs4BiF]
_chemical_formula_sum '[Cs8 Bi2 F2]'
_cell_volume [646.9723]
_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  0.1126  0.5908  0.8576  1.0
  Cs  Cs1  4  0.4495  0.1996  0.8773  1.0
  Bi  Bi2  2  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.5000  0.0000  0.5000  1.0
]