data_[Zr1Cu1W2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [5.2510]
_cell_length_b [5.8867]
_cell_length_c [5.9333]
_cell_angle_alpha [70.5182]
_cell_angle_beta [64.4893]
_cell_angle_gamma [88.9871]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZrCu(WO4)2]
_chemical_formula_sum '[Zr1 Cu1 W2 O8]'
_cell_volume [154.3287]
_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
[
  Zr  Zr0  1  0.4803  0.7085  0.8960  1
  Cu  Cu1  1  0.9549  0.2636  0.8739  1
  W  W2  1  0.2323  0.0565  0.3955  1
  W  W3  1  0.7106  0.3876  0.4028  1
  O  O4  1  0.1631  0.4030  0.1981  1
  O  O5  1  0.2490  0.9193  0.1554  1
  O  O6  1  0.2553  0.7939  0.6634  1
  O  O7  1  0.3027  0.2606  0.6058  1
  O  O8  1  0.6357  0.1777  0.2038  1
  O  O9  1  0.7021  0.6551  0.1347  1
  O  O10  1  0.7095  0.5120  0.6754  1
  O  O11  1  0.8045  0.0408  0.5992  1
]