data_[Ba1Tl1Os1O6]
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
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0029]
_cell_length_b [5.6347]
_cell_length_c [5.8520]
_cell_angle_alpha [109.4364]
_cell_angle_beta [92.9547]
_cell_angle_gamma [102.8843]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaTlOsO6]
_chemical_formula_sum '[Ba1 Tl1 Os1 O6]'
_cell_volume [150.2259]
_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
[
  Ba  Ba0  1  0.3304  0.6374  0.2714  1.0
  Tl  Tl1  1  0.9882  0.8895  0.8547  1.0
  Os  Os2  1  0.5214  0.3399  0.6715  1.0
  O  O3  1  0.2570  0.1294  0.4113  1.0
  O  O4  1  0.3272  0.2170  0.9129  1.0
  O  O5  1  0.3352  0.6008  0.7491  1.0
  O  O6  1  0.7074  0.0915  0.6440  1.0
  O  O7  1  0.7509  0.5081  0.5010  1.0
  O  O8  1  0.7824  0.5862  0.9838  1.0
]