data_[Sb6Te2Cl2O12]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.7908]
_cell_length_b [4.1462]
_cell_length_c [9.6593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sb3TeClO6]
_chemical_formula_sum '[Sb6 Te2 Cl2 O12]'
_cell_volume [528.9242]
_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  0.1575  0.0000  0.4854  1.0
  Sb  Sb1  2  0.1593  0.0000  0.8545  1.0
  Sb  Sb2  2  0.3412  0.5000  0.1431  1.0
  Te  Te3  2  0.3376  0.5000  0.5076  1.0
  Cl  Cl4  2  0.4967  0.0000  0.5001  1.0
  O  O5  2  0.2068  0.5000  0.9234  1.0
  O  O6  2  0.2085  0.5000  0.4904  1.0
  O  O7  2  0.2240  0.0000  0.7260  1.0
  O  O8  2  0.2736  0.5000  0.2747  1.0
  O  O9  2  0.2941  0.0000  0.0795  1.0
  O  O10  2  0.3008  0.0000  0.5154  1.0
]