data_[Er1Cu1W2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [5.1566]
_cell_length_b [6.0564]
_cell_length_c [6.0723]
_cell_angle_alpha [109.1623]
_cell_angle_beta [114.4214]
_cell_angle_gamma [91.7219]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ErCu(WO4)2]
_chemical_formula_sum '[Er1 Cu1 W2 O8]'
_cell_volume [160.0501]
_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
[
  Er  Er0  1  0.6419  0.7105  0.0935  1
  Cu  Cu1  1  0.1222  0.1947  0.0839  1
  W  W2  1  0.3812  0.0347  0.6014  1
  W  W3  1  0.8811  0.3718  0.5785  1
  O  O4  1  0.0850  0.2185  0.3812  1
  O  O5  1  0.1229  0.7655  0.3499  1
  O  O6  1  0.1593  0.6282  0.8341  1
  O  O7  1  0.1648  0.1713  0.7897  1
  O  O8  1  0.5987  0.0319  0.3946  1
  O  O9  1  0.6221  0.9232  0.8421  1
  O  O10  1  0.6566  0.3811  0.7800  1
  O  O11  1  0.6588  0.4971  0.3457  1
]