data_[Pr4Ho10Th2]
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 [6.8097]
_cell_length_b [7.2368]
_cell_length_c [11.2169]
_cell_angle_alpha [99.7138]
_cell_angle_beta [90.1850]
_cell_angle_gamma [105.4447]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr2Ho5Th]
_chemical_formula_sum '[Pr4 Ho10 Th2]'
_cell_volume [524.5009]
_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  0.1036  0.2450  0.8506  1
  Pr  Pr1  2  0.3507  0.1160  0.1031  1
  Ho  Ho2  2  0.1082  0.7358  0.8494  1
  Ho  Ho3  2  0.1435  0.1381  0.3998  1
  Ho  Ho4  2  0.3571  0.6142  0.1094  1
  Ho  Ho5  2  0.3908  0.5076  0.6404  1
  Ho  Ho6  2  0.4007  0.0111  0.6428  1
  Th  Th7  2  0.1464  0.6324  0.3975  1
]