data_[Ba8Tl4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [8.7134]
_cell_length_b [7.7252]
_cell_length_c [9.0897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba4Tl2O]
_chemical_formula_sum '[Ba8 Tl4 O2]'
_cell_volume [592.1360]
_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
[
  Ba  Ba0  4  0.2271  0.5016  0.4352  1.0
  Ba  Ba1  2  0.0883  0.2500  0.9294  1.0
  Ba  Ba2  2  0.4094  0.7500  0.1191  1.0
  Tl  Tl3  2  0.1334  0.7500  0.7539  1.0
  Tl  Tl4  2  0.4972  0.7500  0.7411  1.0
  O  O5  2  0.1826  0.7500  0.2476  1.0
]