data_[La4W4O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.1934]
_cell_length_b [11.5460]
_cell_length_c [5.2074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1010]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LaWO4]
_chemical_formula_sum '[La4 W4 O16]'
_cell_volume [340.3480]
_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  2  0.0000  0.3642  0.0000  1.0
  La  La1  2  0.0000  0.6421  0.5000  1.0
  W  W2  2  0.0000  0.0863  0.5000  1.0
  W  W3  2  0.0000  0.9089  0.0000  1.0
  O  O4  4  0.1411  0.2003  0.4184  1.0
  O  O5  4  0.1513  0.7914  0.8959  1.0
  O  O6  4  0.2223  0.0342  0.9475  1.0
  O  O7  4  0.2245  0.9733  0.4692  1.0
]