data_[Ba10Tl4O4]
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 [C2/m]
_cell_length_a [14.6223]
_cell_length_b [5.9895]
_cell_length_c [7.4819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7811]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5Tl2O2]
_chemical_formula_sum '[Ba10 Tl4 O4]'
_cell_volume [649.2294]
_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  0.1551  0.0000  0.5654  1.0
  Ba  Ba1  4  0.1704  0.5000  0.9305  1.0
  Ba  Ba2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  4  0.0656  0.5000  0.3532  1.0
  O  O4  4  0.1677  0.0000  0.9010  1.0
]