data_[Pr5Er2Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1720]
_cell_length_b [6.8764]
_cell_length_c [8.6226]
_cell_angle_alpha [78.5647]
_cell_angle_beta [69.5593]
_cell_angle_gamma [64.9073]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr5(ErTh)2]
_chemical_formula_sum '[Pr5 Er2 Th2]'
_cell_volume [310.0061]
_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  0.3890  0.6828  0.6580  1
  Pr  Pr1  2  0.4907  0.8688  0.2404  1
  Pr  Pr2  1  0.0000  0.0000  0.0000  1
  Er  Er3  2  0.1938  0.4286  0.1226  1
  Th  Th4  2  0.0414  0.2351  0.5477  1
]