data_[Tl10O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0552]
_cell_length_b [10.4041]
_cell_length_c [6.4431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5O6]
_chemical_formula_sum '[Tl10 O12]'
_cell_volume [385.9206]
_cell_formula_units_Z [2]
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  4  0.0000  0.1645  0.5000  1.0
  Tl  Tl1  4  0.0000  0.3313  0.0000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.2240  0.3274  0.6990  1.0
  O  O4  4  0.2368  0.0000  0.6883  1.0
]