data_[Er40W8O84]
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 [Pbcn]
_cell_length_a [15.9066]
_cell_length_b [10.5211]
_cell_length_c [10.6035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [60]
_chemical_formula_structural [Er10W2O21]
_chemical_formula_sum '[Er40 W8 O84]'
_cell_volume [1774.5522]
_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  8  0.0805  0.0112  0.6351  1
  Er  Er1  8  0.0896  0.4790  0.1096  1
  Er  Er2  8  0.0995  0.2500  0.3422  1
  Er  Er3  8  0.2281  0.2484  0.6261  1
  Er  Er4  8  0.2430  0.4861  0.8579  1
  W  W5  8  0.0860  0.2516  0.8768  1
  O  O6  8  0.0122  0.3772  0.9450  1
  O  O7  8  0.0419  0.1207  0.9795  1
  O  O8  8  0.1335  0.3711  0.7495  1
  O  O9  8  0.1578  0.1288  0.7850  1
  O  O10  8  0.1579  0.1146  0.4926  1
  O  O11  8  0.1709  0.3929  0.4898  1
  O  O12  8  0.1718  0.3135  0.9836  1
  O  O13  8  0.1776  0.1203  0.2143  1
  O  O14  8  0.1788  0.3782  0.2286  1
  O  O15  4  0.0000  0.1133  0.2500  1
  O  O16  4  0.0000  0.1879  0.7500  1
  O  O17  4  0.0000  0.3808  0.2500  1
]