data_[Nd4W4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.1250]
_cell_length_b [11.3835]
_cell_length_c [5.1962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NdWO4]
_chemical_formula_sum '[Nd4 W4 O16]'
_cell_volume [328.0137]
_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
[
  Nd  Nd0  2  0.0000  0.3600  0.0000  1.0
  Nd  Nd1  2  0.0000  0.6347  0.5000  1.0
  W  W2  2  0.0000  0.0931  0.5000  1.0
  W  W3  2  0.0000  0.9114  0.0000  1.0
  O  O4  4  0.1415  0.7971  0.9156  1.0
  O  O5  4  0.1523  0.2109  0.3953  1.0
  O  O6  4  0.2273  0.9665  0.4510  1.0
  O  O7  4  0.2319  0.0259  0.9742  1.0
]