data_[Er4Hf4S4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hf  1.3000  1.5500  0.8500
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9097]
_cell_length_b [3.9097]
_cell_length_c [23.6068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Er2Hf2S2O5]
_chemical_formula_sum '[Er4 Hf4 S4 O10]'
_cell_volume [360.8451]
_cell_formula_units_Z [2]
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  0.0000  0.3274  1.0
  Hf  Hf1  4  0.0000  0.0000  0.0827  1.0
  S  S2  4  0.0000  0.0000  0.2081  1.0
  O  O3  8  0.0000  0.5000  0.1081  1.0
  O  O4  2  0.0000  0.0000  0.0000  1.0
]