data_[La4Te4I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7044]
_cell_length_b [7.4743]
_cell_length_c [7.2310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaTeIO4]
_chemical_formula_sum '[La4 Te4 I4 O16]'
_cell_volume [609.6363]
_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
[
  La  La0  4  0.2474  0.5000  0.8559  1
  Te  Te1  4  0.1293  0.5000  0.2550  1
  I  I2  4  0.0067  0.0000  0.7481  1
  O  O3  8  0.1974  0.3165  0.1401  1
  O  O4  4  0.0346  0.5000  0.8082  1
  O  O5  4  0.1922  0.5000  0.5182  1
]