data_[Tl4As12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [14.5578]
_cell_length_b [7.0807]
_cell_length_c [10.3332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.7408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Tl(AsO3)3]
_chemical_formula_sum '[Tl4 As12 O36]'
_cell_volume [830.7975]
_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  4  0.2458  0.2658  0.4995  1
  As  As1  4  0.1085  0.9197  0.1768  1
  As  As2  4  0.3888  0.3937  0.3262  1
  As  As3  4  0.4896  0.0682  0.2217  1
  O  O4  4  0.0294  0.1032  0.0277  1
  O  O5  4  0.1222  0.4776  0.9051  1
  O  O6  4  0.1476  0.0028  0.3582  1
  O  O7  4  0.2180  0.8347  0.1813  1
  O  O8  4  0.2712  0.3913  0.3210  1
  O  O9  4  0.3927  0.4371  0.7150  1
  O  O10  4  0.3955  0.1661  0.2597  1
  O  O11  4  0.4111  0.1028  0.5820  1
  O  O12  4  0.4971  0.2458  0.1038  1
]