data_[Th4B2As2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.4564]
_cell_length_b [8.3445]
_cell_length_c [6.9342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Th2BAsPt6]
_chemical_formula_sum '[Th4 B2 As2 Pt12]'
_cell_volume [373.5806]
_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  0.0000  0.2314  0.7236  1
  B  B1  2  0.0000  0.0000  0.1442  1
  As  As2  2  0.0000  0.5000  0.3724  1
  Pt  Pt3  4  0.0000  0.2509  0.1772  1
  Pt  Pt4  4  0.2070  0.0000  0.4072  1
  Pt  Pt5  4  0.2209  0.5000  0.0065  1
]