data_[Tl12Cr6Os6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8450]
_cell_length_b [5.8450]
_cell_length_c [28.3069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl2CrOsO6]
_chemical_formula_sum '[Tl12 Cr6 Os6 O36]'
_cell_volume [837.5064]
_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
[
  Tl  Tl0  6  0.0000  0.0000  0.1276  1
  Tl  Tl1  6  0.0000  0.0000  0.2827  1
  Cr  Cr2  6  0.0000  0.0000  0.4070  1
  Os  Os3  3  -0.0000  -0.0000  0.5000  1
  Os  Os4  3  0.0000  0.0000  0.0000  1
  O  O5  18  0.0227  0.5114  0.7050  1
  O  O6  18  0.0389  0.5194  0.1233  1
]