data_[Pr2Tl1Ir1O8]
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
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7587]
_cell_length_b [4.9686]
_cell_length_c [7.5541]
_cell_angle_alpha [92.2720]
_cell_angle_beta [92.5091]
_cell_angle_gamma [94.3573]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr2TlIrO8]
_chemical_formula_sum '[Pr2 Tl1 Ir1 O8]'
_cell_volume [177.7570]
_cell_formula_units_Z [1]
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  2  0.4262  0.4519  0.2388  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  O  O3  2  0.1247  0.7455  0.8218  1.0
  O  O4  2  0.2274  0.8812  0.1993  1.0
  O  O5  2  0.2952  0.2566  0.9498  1.0
  O  O6  2  0.3008  0.3053  0.5232  1.0
]