data_[Ba4Tl4O8]
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 [Pnma]
_cell_length_a [6.5274]
_cell_length_b [3.7537]
_cell_length_c [12.7141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaTlO2]
_chemical_formula_sum '[Ba4 Tl4 O8]'
_cell_volume [311.5231]
_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
[
  Ba  Ba0  4  0.1074  0.7500  0.1435  1.0
  Tl  Tl1  4  0.1096  0.2500  0.3923  1.0
  O  O2  4  0.1424  0.7500  0.7522  1.0
  O  O3  4  0.2469  0.2500  0.9901  1.0
]