data_[Th8Ge16Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ge  2.0100  1.2500  0.7700
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3791]
_cell_length_b [9.1340]
_cell_length_c [16.2612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [ThGe2Os]
_chemical_formula_sum '[Th8 Ge16 Os8]'
_cell_volume [650.4271]
_cell_formula_units_Z [8]
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  0.0000  0.2901  1
  Th  Th1  4  0.0000  0.2418  0.5000  1
  Ge  Ge2  8  0.0000  0.3409  0.3010  1
  Ge  Ge3  4  0.0000  0.0000  0.0784  1
  Ge  Ge4  4  0.0000  0.5000  0.0773  1
  Os  Os5  8  0.0000  0.2483  0.1425  1
]