data_[Pr12Er4Tl8]
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 [Ibam]
_cell_length_a [6.8219]
_cell_length_b [16.8549]
_cell_length_c [6.7481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr3ErTl2]
_chemical_formula_sum '[Pr12 Er4 Tl8]'
_cell_volume [775.9084]
_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  0.2461  0.1771  0.5000  1.0
  Pr  Pr1  4  0.0000  0.5000  0.2500  1.0
  Er  Er2  4  0.0000  0.0000  0.2500  1.0
  Tl  Tl3  8  0.2404  0.8659  0.5000  1.0
]