data_[Pr2Th10Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2554]
_cell_length_b [12.4305]
_cell_length_c [7.3686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrTh5Pt6]
_chemical_formula_sum '[Pr2 Th10 Pt12]'
_cell_volume [629.7704]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.0000  1
  Th  Th1  4  0.0000  0.1667  0.5000  1
  Th  Th2  4  0.0000  0.3331  0.0000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Pt  Pt4  8  0.2457  0.3306  0.7465  1
  Pt  Pt5  4  0.2454  0.5000  0.2539  1
]