data_[Pr24Er4Tl12]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [10.9036]
_cell_length_b [16.0840]
_cell_length_c [7.8526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr6ErTl3]
_chemical_formula_sum '[Pr24 Er4 Tl12]'
_cell_volume [1377.1443]
_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  0.2248  0.3123  0.2877  1
  Pr  Pr1  8  0.2314  0.4642  0.6032  1
  Pr  Pr2  4  0.0000  0.0416  0.7749  1
  Pr  Pr3  4  0.0000  0.2962  0.6584  1
  Er  Er4  4  0.0000  0.1839  0.0855  1
  Tl  Tl5  8  0.1461  0.1348  0.4313  1
  Tl  Tl6  4  0.0000  0.4483  0.3224  1
]