data_[Cs1Bi2F7]
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 [P1]
_cell_length_a [4.2962]
_cell_length_b [4.2998]
_cell_length_c [12.2184]
_cell_angle_alpha [92.1204]
_cell_angle_beta [92.6177]
_cell_angle_gamma [117.6340]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsBi2F7]
_chemical_formula_sum '[Cs1 Bi2 F7]'
_cell_volume [199.3217]
_cell_formula_units_Z [1]
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  0.3559  0.2205  0.6414  1.0
  Bi  Bi1  1  0.6331  0.8196  0.3254  1.0
  Bi  Bi2  1  0.7573  0.9328  0.9562  1.0
  F  F3  1  0.1810  0.6746  0.9217  1.0
  F  F4  1  0.2234  0.0485  0.3138  1.0
  F  F5  1  0.5315  0.3425  0.9666  1.0
  F  F6  1  0.6497  0.9020  0.1399  1.0
  F  F7  1  0.6649  0.8485  0.5073  1.0
  F  F8  1  0.7300  0.9084  0.7748  1.0
  F  F9  1  0.8919  0.3978  0.3574  1.0
]