data_[Bi2Pb4F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0486]
_cell_length_b [4.0486]
_cell_length_c [18.7180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [BiPb2F7]
_chemical_formula_sum '[Bi2 Pb4 F14]'
_cell_volume [306.8027]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1
  Pb  Pb1  4  0.0000  0.0000  0.1662  1
  F  F2  8  0.0000  0.5000  0.0843  1
  F  F3  4  0.0000  0.5000  0.2500  1
  F  F4  2  0.0000  0.0000  0.0000  1
]