data_[Nd1Cu1W2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1411]
_cell_length_b [6.1027]
_cell_length_c [6.3295]
_cell_angle_alpha [108.3353]
_cell_angle_beta [92.2849]
_cell_angle_gamma [112.2857]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NdCu(WO4)2]
_chemical_formula_sum '[Nd1 Cu1 W2 O8]'
_cell_volume [171.5343]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Cu  Cu1  1  0.5000  0.5000  0.5000  1.0
  W  W2  2  0.2496  0.9860  0.6607  1.0
  O  O3  2  0.0223  0.1871  0.6630  1.0
  O  O4  2  0.0249  0.7567  0.7752  1.0
  O  O5  2  0.4703  0.7997  0.5256  1.0
  O  O6  2  0.4991  0.7691  0.0869  1.0
]