data_[Ba2Pr6Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [11.4566]
_cell_length_b [7.7889]
_cell_length_c [5.8135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [BaPr3Tl4]
_chemical_formula_sum '[Ba2 Pr6 Tl8]'
_cell_volume [518.7638]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.0000  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Pr  Pr2  2  0.2500  0.0000  0.5581  1
  Pr  Pr3  2  0.2500  0.5000  0.5437  1
  Tl  Tl4  4  0.0000  0.2321  0.5000  1
  Tl  Tl5  4  0.2500  0.2311  0.0667  1
]