data_[Pr8Tl2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [6.6991]
_cell_length_b [6.6790]
_cell_length_c [8.7787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Pr4TlSb]
_chemical_formula_sum '[Pr8 Tl2 Sb2]'
_cell_volume [392.7858]
_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  4  0.0000  0.2522  0.0000  1.0
  Pr  Pr1  2  0.2500  0.0000  0.3545  1.0
  Pr  Pr2  2  0.2500  0.5000  0.6520  1.0
  Tl  Tl3  2  0.2500  0.0000  0.7188  1.0
  Sb  Sb4  2  0.2500  0.5000  0.2825  1.0
]