data_[Ba8Bi4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [8.2514]
_cell_length_b [9.8729]
_cell_length_c [8.2817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2BiF]
_chemical_formula_sum '[Ba8 Bi4 F4]'
_cell_volume [626.9862]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.2052  0.7125  0.5773  1.0
  Ba  Ba1  4  0.2683  0.1162  0.4354  1.0
  Bi  Bi2  4  0.1414  0.0590  0.7889  1.0
  F  F3  4  0.3826  0.6388  0.9148  1.0
]