data_[Th8Ge20Pt12]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4356]
_cell_length_b [24.3820]
_cell_length_c [7.3264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Th2Ge5Pt3]
_chemical_formula_sum '[Th8 Ge20 Pt12]'
_cell_volume [792.3458]
_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  0.1746  0.2550  1
  Th  Th1  4  0.0000  0.4788  0.2494  1
  Ge  Ge2  4  0.0000  0.0512  0.4264  1
  Ge  Ge3  4  0.0000  0.1196  0.7439  1
  Ge  Ge4  4  0.0000  0.2881  0.4852  1
  Ge  Ge5  4  0.0000  0.2957  0.0774  1
  Ge  Ge6  4  0.0000  0.3969  0.5885  1
  Pt  Pt7  4  0.0000  0.0511  0.0511  1
  Pt  Pt8  4  0.0000  0.2235  0.7961  1
  Pt  Pt9  4  0.0000  0.3934  0.9623  1
]