data_[Th12Ga6B6Pt36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ga  1.8100  1.3000  0.7600
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7500]
_cell_length_b [5.7500]
_cell_length_c [38.8955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th2GaBPt6]
_chemical_formula_sum '[Th12 Ga6 B6 Pt36]'
_cell_volume [1113.6895]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1083  1
  Th  Th1  6  0.0000  0.0000  0.2766  1
  Ga  Ga2  6  0.0000  0.0000  0.4187  1
  B  B3  3  -0.0000  -0.0000  0.5000  1
  B  B4  3  0.0000  0.0000  0.0000  1
  Pt  Pt5  18  0.0032  0.5016  0.2997  1
  Pt  Pt6  18  0.0175  0.5087  0.8654  1
]