data_[Sc8Te8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2687]
_cell_length_b [12.6489]
_cell_length_c [10.5668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sc2Te2O]
_chemical_formula_sum '[Sc8 Te8 O4]'
_cell_volume [436.8846]
_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
[
  Sc  Sc0  4  0.0000  0.0341  0.9154  1
  Sc  Sc1  4  0.0000  0.2090  0.0929  1
  Te  Te2  4  0.0000  0.0986  0.6485  1
  Te  Te3  4  0.0000  0.3472  0.8333  1
  O  O4  4  0.0000  0.3777  0.4951  1
]