data_[Pr8Bi4F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.4363]
_cell_length_b [10.6912]
_cell_length_c [11.0597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2BiF11]
_chemical_formula_sum '[Pr8 Bi4 F44]'
_cell_volume [997.5188]
_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
[
  Pr  Pr0  8  0.1404  0.1824  0.0000  1
  Bi  Bi1  4  0.0000  0.5000  0.2500  1
  F  F2  16  0.0889  0.3401  0.1516  1
  F  F3  16  0.1966  0.4372  0.3573  1
  F  F4  8  0.1251  0.2186  0.5000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]