data_[Ba1Ni1Pb2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.4305]
_cell_length_b [8.0207]
_cell_length_c [5.6858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaNiPb2F8]
_chemical_formula_sum '[Ba1 Ni1 Pb2 F8]'
_cell_volume [200.9970]
_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  0.5000  0.0000  1.0
  Ni  Ni1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.5000  0.2272  0.5000  1.0
  F  F3  4  0.0620  0.2041  0.7683  1.0
  F  F4  2  0.3974  0.0000  0.2152  1.0
  F  F5  2  0.4790  0.5000  0.7403  1.0
]