data_[Th12Pt2Rh10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1531]
_cell_length_b [12.3698]
_cell_length_c [7.1266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4241]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6PtRh5]
_chemical_formula_sum '[Th12 Pt2 Rh10]'
_cell_volume [594.6850]
_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  8  0.2459  0.3306  0.7464  1
  Th  Th1  4  0.2442  0.5000  0.2508  1
  Rh  Rh2  4  0.0000  0.1636  0.5000  1
  Rh  Rh3  4  0.0000  0.3329  0.0000  1
  Pt  Pt4  2  0.0000  0.0000  0.0000  1
  Rh  Rh5  2  0.0000  0.5000  0.5000  1
]