data_[Er8S8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7688]
_cell_length_b [14.5839]
_cell_length_c [6.9977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Er2S2O]
_chemical_formula_sum '[Er8 S8 O4]'
_cell_volume [384.6218]
_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  4  0.0000  0.1656  0.5208  1.0
  Er  Er1  4  0.0000  0.4501  0.4118  1.0
  S  S2  4  0.0000  0.0510  0.2220  1.0
  S  S3  4  0.0000  0.2029  0.8949  1.0
  O  O4  4  0.0000  0.4066  0.0848  1.0
]