data_[Ba1Tl2Ru1O8]
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
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4032]
_cell_length_b [5.7453]
_cell_length_c [7.0935]
_cell_angle_alpha [88.4087]
_cell_angle_beta [76.0017]
_cell_angle_gamma [87.9593]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaTl2RuO8]
_chemical_formula_sum '[Ba1 Tl2 Ru1 O8]'
_cell_volume [173.9760]
_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  0.5000  0.0000  0.5000  1
  Tl  Tl1  2  0.1762  0.4531  0.2034  1
  Ru  Ru2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.1072  0.0753  0.2521  1
  O  O4  2  0.2495  0.6881  0.9508  1
  O  O5  2  0.3178  0.1623  0.8622  1
  O  O6  2  0.3351  0.5199  0.4989  1
]