data_[Th20Tl8Os8]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [17.6356]
_cell_length_b [8.6474]
_cell_length_c [6.9012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Th5(TlOs)2]
_chemical_formula_sum '[Th20 Tl8 Os8]'
_cell_volume [1052.4537]
_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  0.0325  0.7215  0.2107  1
  Th  Th1  8  0.1547  0.0963  0.9232  1
  Th  Th2  4  0.2500  0.7124  0.0198  1
  Tl  Tl3  8  0.1039  0.0391  0.4125  1
  Os  Os4  4  0.0000  0.0000  0.9989  1
  Os  Os5  4  0.2500  0.0083  0.2243  1
]