data_BiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   139.29
_cell_angle_beta   129.64
_cell_angle_gamma   66.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiF5
_chemical_formula_sum   'Bi1 F5'
_cell_volume   86.16
_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
  Bi  Bi0  1  0.0  0.38  0.0  1.0
  F  F1  1  0.94  0.24  0.0  1.0
  F  F2  1  0.0  0.14  0.67  1.0
  F  F3  1  0.0  0.38  0.02  1.0
  F  F4  1  0.94  0.0  0.65  1.0
  F  F5  1  0.0  0.0  0.0  1.0

data_BiF5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.75
_cell_length_c   5.59
_cell_angle_alpha   115.18
_cell_angle_beta   110.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiF5
_chemical_formula_sum   'Bi1 F5'
_cell_volume   86.16
_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
  Bi  Bi0  1  0.62  0.62  0.62  1.0
  F  F1  1  0.0  0.0  0.0  1.0
  F  F2  1  0.0  0.65  0.71  1.0
  F  F3  1  0.62  0.64  0.64  1.0
  F  F4  1  0.76  0.76  0.82  1.0
  F  F5  1  0.86  0.53  0.53  1.0

Bi F F F F F