data_[Pr8Tl4O2]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7534]
_cell_length_b [7.1471]
_cell_length_c [9.4399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr4Tl2O]
_chemical_formula_sum '[Pr8 Tl4 O2]'
_cell_volume [427.2221]
_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  0.4697  0.5023  0.7217  1.0
  Pr  Pr1  2  0.0726  0.7500  0.3490  1.0
  Pr  Pr2  2  0.1254  0.7500  0.9453  1.0
  Tl  Tl3  2  0.1899  0.2500  0.4122  1.0
  Tl  Tl4  2  0.3105  0.2500  0.9703  1.0
  O  O5  2  0.2971  0.7500  0.2062  1.0
]