data_[Pr4Tl8Bi8]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6806]
_cell_length_b [29.7744]
_cell_length_c [4.6302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr(TlBi)2]
_chemical_formula_sum '[Pr4 Tl8 Bi8]'
_cell_volume [645.2687]
_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  4  0.0000  0.3359  0.2500  1
  Tl  Tl1  4  0.0000  0.0519  0.7500  1
  Tl  Tl2  4  0.0000  0.4473  0.7500  1
  Bi  Bi3  4  0.0000  0.1379  0.2500  1
  Bi  Bi4  4  0.0000  0.2498  0.7500  1
]