data_[Ba1Cr1Pb2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3573]
_cell_length_b [5.9656]
_cell_length_c [8.3306]
_cell_angle_alpha [86.3971]
_cell_angle_beta [86.7120]
_cell_angle_gamma [85.6207]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCrPb2F8]
_chemical_formula_sum '[Ba1 Cr1 Pb2 F8]'
_cell_volume [215.1837]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.5000  1.0
  Cr  Cr1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4706  0.4905  0.7597  1.0
  F  F3  2  0.0353  0.3245  0.2616  1.0
  F  F4  2  0.0675  0.1700  0.7864  1.0
  F  F5  2  0.3790  0.7771  0.9688  1.0
  F  F6  2  0.4913  0.2645  0.4974  1.0
]