data_[Pr5Ho12Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1744]
_cell_length_b [8.0280]
_cell_length_c [12.9408]
_cell_angle_alpha [90.2391]
_cell_angle_beta [103.7540]
_cell_angle_gamma [97.2279]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr5(Ho6Th)2]
_chemical_formula_sum '[Pr5 Ho12 Th2]'
_cell_volume [617.7131]
_cell_formula_units_Z [1]
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  0.0325  0.5576  0.8685  1
  Pr  Pr1  2  0.2899  0.0785  0.5560  1
  Pr  Pr2  1  0.5000  0.5000  0.5000  1
  Ho  Ho3  2  0.0834  0.6589  0.6088  1
  Ho  Ho4  2  0.1239  0.7635  0.3385  1
  Ho  Ho5  2  0.1856  0.8740  0.0787  1
  Ho  Ho6  2  0.3385  0.1823  0.2859  1
  Ho  Ho7  2  0.3975  0.2827  0.0253  1
  Ho  Ho8  2  0.4501  0.3926  0.7655  1
  Th  Th9  2  0.2385  0.9750  0.8167  1
]