data_[Pr5Ho4Th2]
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 [P2/m]
_cell_length_a [8.9467]
_cell_length_b [3.5363]
_cell_length_c [11.8903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr5(Ho2Th)2]
_chemical_formula_sum '[Pr5 Ho4 Th2]'
_cell_volume [375.1074]
_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  0.1901  0.0000  0.1639  1
  Pr  Pr1  2  0.4245  0.0000  0.7072  1
  Pr  Pr2  1  0.5000  0.0000  0.0000  1
  Ho  Ho3  2  0.1613  0.5000  0.8915  1
  Ho  Ho4  2  0.2992  0.5000  0.4518  1
  Th  Th5  2  0.0430  0.0000  0.6325  1
]