data_[Ba1Cu1Pb2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  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 [4.4198]
_cell_length_b [5.9641]
_cell_length_c [8.2314]
_cell_angle_alpha [85.3618]
_cell_angle_beta [84.7427]
_cell_angle_gamma [85.7371]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCuPb2F8]
_chemical_formula_sum '[Ba1 Cu1 Pb2 F8]'
_cell_volume [214.8678]
_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
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4511  0.4857  0.7591  1.0
  F  F3  2  0.0458  0.3503  0.2770  1.0
  F  F4  2  0.0788  0.1507  0.7898  1.0
  F  F5  2  0.3406  0.7779  0.9635  1.0
  F  F6  2  0.4960  0.2633  0.4994  1.0
]