data_[Tl1V1Os1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  V  1.6300  1.3500  0.7775
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1265]
_cell_length_b [5.2059]
_cell_length_c [5.9251]
_cell_angle_alpha [91.0486]
_cell_angle_beta [91.4734]
_cell_angle_gamma [117.6012]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlVOsO6]
_chemical_formula_sum '[Tl1 V1 Os1 O6]'
_cell_volume [140.0057]
_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  0.9914  0.9896  0.9998  1.0
  V  V1  1  0.3344  0.6802  0.4761  1.0
  Os  Os2  1  0.6647  0.3242  0.5163  1.0
  O  O3  1  0.4005  0.0135  0.6837  1.0
  O  O4  1  0.4048  0.3849  0.3151  1.0
  O  O5  1  0.5980  0.6038  0.6842  1.0
  O  O6  1  0.6125  0.0036  0.3182  1.0
  O  O7  1  0.9968  0.6098  0.3243  1.0
  O  O8  1  0.9971  0.3905  0.6821  1.0
]