data_[Rb12Tl6Os6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Os  2.2000  1.3000  0.6730
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.2139]
_cell_length_b [7.2139]
_cell_length_c [45.3973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2TlOsCl6]
_chemical_formula_sum '[Rb12 Tl6 Os6 Cl36]'
_cell_volume [2045.9688]
_cell_formula_units_Z [6]
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
[
  Rb  Rb0  6  0.0000  0.0000  0.1408  1.0
  Rb  Rb1  6  0.0000  0.0000  0.3086  1.0
  Tl  Tl2  6  0.0000  0.0000  0.4159  1.0
  Os  Os3  3  -0.0000  -0.0000  0.5000  1.0
  Os  Os4  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  18  0.0219  0.5110  0.1357  1.0
  Cl  Cl6  18  0.0239  0.5120  0.6976  1.0
]