data_[Pr16Er8Th4]
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 [Imma]
_cell_length_a [6.8590]
_cell_length_b [11.6763]
_cell_length_c [12.1780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Pr4Er2Th]
_chemical_formula_sum '[Pr16 Er8 Th4]'
_cell_volume [975.3138]
_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  8  0.0000  0.0025  0.1570  1
  Pr  Pr1  8  0.2241  0.2500  0.9875  1
  Er  Er2  4  0.0000  0.0000  0.5000  1
  Er  Er3  4  0.0000  0.2500  0.7208  1
  Th  Th4  4  0.2500  0.2500  0.2500  1
]