data_[Tl12Bi6Mo6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.2834]
_cell_length_b [6.2834]
_cell_length_c [29.8164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl2BiMoO6]
_chemical_formula_sum '[Tl12 Bi6 Mo6 O36]'
_cell_volume [1019.4636]
_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  0.1293  1
  Tl  Tl1  6  0.0000  0.0000  0.2637  1
  Bi  Bi2  6  0.0000  0.0000  0.3994  1
  Mo  Mo3  3  -0.0000  -0.0000  0.5000  1
  Mo  Mo4  3  0.0000  0.0000  0.0000  1
  O  O5  18  0.0458  0.5229  0.7053  1
  O  O6  18  0.0505  0.5253  0.1258  1
]