data_[Th8Sn4F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.5890]
_cell_length_b [10.6231]
_cell_length_c [11.0558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Th2SnF11]
_chemical_formula_sum '[Th8 Sn4 F44]'
_cell_volume [1008.7562]
_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  8  0.1493  0.1828  0.0000  1
  Sn  Sn1  4  0.0000  0.5000  0.2500  1
  F  F2  16  0.0937  0.3286  0.1445  1
  F  F3  16  0.2121  0.4286  0.3609  1
  F  F4  8  0.1230  0.2123  0.5000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]