data_[Pr12Ho8Th4]
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 [C2/m]
_cell_length_a [22.2296]
_cell_length_b [3.6462]
_cell_length_c [11.8263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Ho2Th]
_chemical_formula_sum '[Pr12 Ho8 Th4]'
_cell_volume [817.1065]
_cell_formula_units_Z [4]
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  4  0.0579  0.0000  0.4242  1
  Pr  Pr1  4  0.1129  0.5000  0.7402  1
  Pr  Pr2  4  0.2310  0.5000  0.6122  1
  Ho  Ho3  4  0.0550  0.0000  0.9328  1
  Ho  Ho4  4  0.2192  0.5000  0.0895  1
  Th  Th5  4  0.1089  0.5000  0.2254  1
]