data_[Tl1B1Ru1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  B  2.0400  0.8500  0.4100
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [4.9642]
_cell_length_b [4.9642]
_cell_length_c [5.1743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [TlBRuO6]
_chemical_formula_sum '[Tl1 B1 Ru1 O6]'
_cell_volume [110.4301]
_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
[
  Tl  Tl0  1  0.0000  0.0000  0.9393  1
  B  B1  1  0.6667  0.3333  0.6934  1
  Ru  Ru2  1  0.3333  0.6667  0.4314  1
  O  O3  3  0.0232  0.3431  0.2736  1
  O  O4  3  0.4184  0.3886  0.7054  1
]