data_[Y1Cu1W2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [5.1430]
_cell_length_b [6.0801]
_cell_length_c [6.1185]
_cell_angle_alpha [108.9125]
_cell_angle_beta [91.7463]
_cell_angle_gamma [113.7445]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [YCu(WO4)2]
_chemical_formula_sum '[Y1 Cu1 W2 O8]'
_cell_volume [162.7888]
_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
[
  Y  Y0  1  0.3779  0.9014  0.2785  1.0
  Cu  Cu1  1  0.8643  0.8943  0.7701  1.0
  W  W2  1  0.1250  0.4122  0.6100  1.0
  W  W3  1  0.6258  0.3893  0.9450  1.0
  O  O4  1  0.3508  0.2115  0.6057  1.0
  O  O5  1  0.3561  0.6507  0.4969  1.0
  O  O6  1  0.3981  0.1536  0.0618  1.0
  O  O7  1  0.4015  0.5911  0.9498  1.0
  O  O8  1  0.8401  0.1981  0.8001  1.0
  O  O9  1  0.8658  0.1620  0.3482  1.0
  O  O10  1  0.8903  0.6382  0.2040  1.0
  O  O11  1  0.9085  0.6015  0.7513  1.0
]