data_[Th6Tl2F26]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [8.0425]
_cell_length_b [7.3305]
_cell_length_c [8.5340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Th3TlF13]
_chemical_formula_sum '[Th6 Tl2 F26]'
_cell_volume [503.1267]
_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
[
  Th  Th0  4  0.2455  0.3972  0.2496  1
  Th  Th1  2  0.5000  0.1088  0.9130  1
  Tl  Tl2  2  0.0000  0.1014  0.6105  1
  F  F3  4  0.1896  0.4519  0.5123  1
  F  F4  4  0.2375  0.1747  0.0545  1
  F  F5  4  0.3007  0.1142  0.3731  1
  F  F6  4  0.3236  0.2998  0.7723  1
  F  F7  2  0.0000  0.2234  0.2847  1
  F  F8  2  0.0000  0.4292  0.7690  1
  F  F9  2  0.5000  0.0316  0.6491  1
  F  F10  2  0.5000  0.3640  0.0933  1
  F  F11  2  0.5000  0.4022  0.3793  1
]