data_[Pr12Er12Tl8]
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 [Cmcm]
_cell_length_a [5.1079]
_cell_length_b [12.0162]
_cell_length_c [16.8057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Er3Tl2]
_chemical_formula_sum '[Pr12 Er12 Tl8]'
_cell_volume [1031.4893]
_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  0.0484  0.6039  1
  Pr  Pr1  4  0.0000  0.2887  0.7500  1
  Er  Er2  8  0.0000  0.3648  0.5413  1
  Er  Er3  4  0.0000  0.4284  0.2500  1
  Tl  Tl4  8  0.0000  0.2367  0.1222  1
]