data_[Tl1Cu2Os1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Os  2.2000  1.3000  0.6730
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0919]
_cell_length_b [6.9856]
_cell_length_c [8.3239]
_cell_angle_alpha [71.1240]
_cell_angle_beta [83.6557]
_cell_angle_gamma [87.0887]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCu2OsCl8]
_chemical_formula_sum '[Tl1 Cu2 Os1 Cl8]'
_cell_volume [333.0856]
_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  0.5000  0.5000  1.0
  Cu  Cu1  2  0.4814  0.0243  0.3168  1.0
  Os  Os2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1102  0.9862  0.2665  1.0
  Cl  Cl4  2  0.1581  0.3154  0.8764  1.0
  Cl  Cl5  2  0.3317  0.8378  0.9414  1.0
  Cl  Cl6  2  0.4748  0.2622  0.4590  1.0
]