data_[Sr1Tl1Os1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [5.3622]
_cell_length_b [5.4055]
_cell_length_c [6.3267]
_cell_angle_alpha [85.3456]
_cell_angle_beta [66.4450]
_cell_angle_gamma [75.3139]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrTlOsO6]
_chemical_formula_sum '[Sr1 Tl1 Os1 O6]'
_cell_volume [162.5667]
_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
[
  Sr  Sr0  1  0.3357  0.4925  0.3119  1.0
  Tl  Tl1  1  0.1130  0.0027  0.7819  1.0
  Os  Os2  1  0.6546  0.5006  0.6924  1.0
  O  O3  1  0.3492  0.7103  0.9466  1.0
  O  O4  1  0.4289  0.3057  0.6708  1.0
  O  O5  1  0.5346  0.7315  0.4908  1.0
  O  O6  1  0.7182  0.3011  0.9448  1.0
  O  O7  1  0.8992  0.6946  0.6723  1.0
  O  O8  1  0.9666  0.2610  0.4886  1.0
]