data_[Th6Al18Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6825]
_cell_length_b [4.2025]
_cell_length_c [10.0784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThAl3Pt2]
_chemical_formula_sum '[Th6 Al18 Pt12]'
_cell_volume [675.0740]
_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  4  0.1555  0.0000  0.7075  1
  Th  Th1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.0450  0.0000  0.3603  1
  Al  Al3  4  0.1325  0.5000  0.2021  1
  Al  Al4  4  0.1697  0.5000  0.9629  1
  Al  Al5  4  0.2150  0.0000  0.3900  1
  Al  Al6  2  0.0000  0.5000  0.5000  1
  Pt  Pt7  4  0.0216  0.5000  0.7791  1
  Pt  Pt8  4  0.1403  0.5000  0.4535  1
  Pt  Pt9  4  0.2004  0.0000  0.1267  1
]