data_[Sb2Te1O8]
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 [P1]
_cell_length_a [3.8722]
_cell_length_b [5.6943]
_cell_length_c [7.9644]
_cell_angle_alpha [75.5469]
_cell_angle_beta [83.3092]
_cell_angle_gamma [82.9133]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sb2TeO8]
_chemical_formula_sum '[Sb2 Te1 O8]'
_cell_volume [168.0805]
_cell_formula_units_Z [1]
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  1  0.0360  0.6563  0.7593  1
  Sb  Sb1  1  0.9874  0.1967  0.4030  1
  Te  Te2  1  0.7665  0.0768  0.0316  1
  O  O3  1  0.0655  0.0019  0.2225  1
  O  O4  1  0.0877  0.3021  0.9028  1
  O  O5  1  0.1724  0.5826  0.5202  1
  O  O6  1  0.4968  0.2342  0.3311  1
  O  O7  1  0.5410  0.6179  0.7723  1
  O  O8  1  0.8850  0.5364  0.4373  1
  O  O9  1  0.9699  0.0144  0.6404  1
  O  O10  1  0.9917  0.7806  0.9795  1
]