data_[Tl36Hg8O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8762]
_cell_length_b [15.1751]
_cell_length_c [9.7809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl9Hg2O3]
_chemical_formula_sum '[Tl36 Hg8 O12]'
_cell_volume [1597.3742]
_cell_formula_units_Z [4]
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  8  0.0376  0.1119  0.8207  1
  Tl  Tl1  8  0.1987  0.2534  0.1633  1
  Tl  Tl2  8  0.2425  0.3814  0.5069  1
  Tl  Tl3  4  0.0000  0.2299  0.5000  1
  Tl  Tl4  4  0.1913  0.5000  0.1746  1
  Tl  Tl5  4  0.2447  0.0000  0.1613  1
  Hg  Hg6  8  0.0403  0.3574  0.8202  1
  O  O7  8  0.1717  0.1275  0.6831  1
  O  O8  4  0.1299  0.0000  0.3177  1
]