data_[In4Te4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [5.3557]
_cell_length_b [4.7617]
_cell_length_c [12.6983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [InTeO4]
_chemical_formula_sum '[In4 Te4 O16]'
_cell_volume [323.8364]
_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
[
  In  In0  2  0.0000  0.0000  0.8311  1
  In  In1  2  0.5000  0.0000  0.1730  1
  Te  Te2  2  0.0000  0.0000  0.5794  1
  Te  Te3  2  0.5000  0.0000  0.4271  1
  O  O4  4  0.1615  0.7237  0.1923  1
  O  O5  4  0.2072  0.7398  0.9409  1
  O  O6  4  0.3408  0.2165  0.3165  1
  O  O7  4  0.3472  0.2303  0.5453  1
]