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 [P1]
_cell_length_a [5.1492]
_cell_length_b [6.0995]
_cell_length_c [6.3234]
_cell_angle_alpha [108.4275]
_cell_angle_beta [92.5481]
_cell_angle_gamma [112.1562]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NdCu(WO4)2]
_chemical_formula_sum '[Nd1 Cu1 W2 O8]'
_cell_volume [171.4512]
_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  0.3672  0.9003  0.2727  1.0
  Cu  Cu1  1  0.8618  0.8934  0.7664  1.0
  W  W2  1  0.1227  0.4136  0.6152  1.0
  W  W3  1  0.6232  0.3853  0.9357  1.0
  O  O4  1  0.3412  0.6427  0.4995  1.0
  O  O5  1  0.3556  0.2174  0.6102  1.0
  O  O6  1  0.3964  0.5869  0.9393  1.0
  O  O7  1  0.3973  0.1522  0.0440  1.0
  O  O8  1  0.8463  0.2009  0.8027  1.0
  O  O9  1  0.8708  0.1635  0.3646  1.0
  O  O10  1  0.8709  0.6280  0.1916  1.0
  O  O11  1  0.9027  0.6004  0.7518  1.0
]