data_[Ba4Pr8Tl8]
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 [Cmcm]
_cell_length_a [7.5768]
_cell_length_b [17.3071]
_cell_length_c [5.4684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba(PrTl)2]
_chemical_formula_sum '[Ba4 Pr8 Tl8]'
_cell_volume [717.0762]
_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
[
  Ba  Ba0  4  0.0000  0.0930  0.2500  1.0
  Pr  Pr1  4  0.0000  0.2707  0.7500  1.0
  Pr  Pr2  4  0.0000  0.4552  0.7500  1.0
  Tl  Tl3  8  0.2051  0.3695  0.2500  1.0
]