data_[Pr10Er2Tl16]
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 [I-4]
_cell_length_a [9.6131]
_cell_length_b [9.6131]
_cell_length_c [9.3606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Pr5ErTl8]
_chemical_formula_sum '[Pr10 Er2 Tl16]'
_cell_volume [865.0202]
_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  8  0.1183  0.7578  0.1279  1.0
  Pr  Pr1  2  0.0000  0.0000  0.5000  1.0
  Er  Er2  2  0.0000  0.5000  0.7500  1.0
  Tl  Tl3  8  0.0749  0.6656  0.4657  1.0
  Tl  Tl4  8  0.0873  0.8179  0.7882  1.0
]