data_[La4W4I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  W  2.3600  1.3500  0.7667
  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 [11.2950]
_cell_length_b [7.5742]
_cell_length_c [7.3967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaWIO4]
_chemical_formula_sum '[La4 W4 I4 O16]'
_cell_volume [608.4671]
_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  0.2444  0.0000  0.1429  1.0
  W  W1  4  0.1334  0.5000  0.2598  1.0
  I  I2  4  0.0209  0.0000  0.7523  1.0
  O  O3  8  0.1892  0.3132  0.1484  1.0
  O  O4  4  0.0330  0.5000  0.7994  1.0
  O  O5  4  0.1955  0.5000  0.5128  1.0
]