data_[Er4W4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.9386]
_cell_length_b [10.9971]
_cell_length_c [5.1265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.1396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ErWO4]
_chemical_formula_sum '[Er4 W4 O16]'
_cell_volume [299.0440]
_cell_formula_units_Z [4]
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  2  0.0000  0.3658  0.0000  1.0
  Er  Er1  2  0.0000  0.6399  0.5000  1.0
  W  W2  2  0.0000  0.0921  0.5000  1.0
  W  W3  2  0.0000  0.9022  0.0000  1.0
  O  O4  4  0.1514  0.2083  0.4207  1.0
  O  O5  4  0.1616  0.7851  0.8928  1.0
  O  O6  4  0.2363  0.0324  0.9630  1.0
  O  O7  4  0.2444  0.9742  0.4866  1.0
]