data_[Sb2Te2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0356]
_cell_length_b [5.4727]
_cell_length_c [5.2433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SbTeO6]
_chemical_formula_sum '[Sb2 Te2 O12]'
_cell_volume [211.6848]
_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
[
  Sb  Sb0  2  0.0000  0.5000  0.5000  1
  Te  Te1  2  0.0000  0.0000  0.0000  1
  O  O2  8  0.0684  0.2465  0.3133  1
  O  O3  4  0.2459  0.0000  0.1137  1
]