data_[Th4Bi8F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.3284]
_cell_length_b [10.6030]
_cell_length_c [11.3621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [ThBi2F11]
_chemical_formula_sum '[Th4 Bi8 F44]'
_cell_volume [1003.3391]
_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
[
  Th  Th0  4  0.0000  0.5000  0.2500  1
  Bi  Bi1  8  0.1401  0.8185  0.0000  1
  F  F2  16  0.0968  0.3254  0.3561  1
  F  F3  16  0.2164  0.4295  0.1362  1
  F  F4  8  0.1312  0.2196  0.0000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]