data_[Li4Er4S4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2_1]
_cell_length_a [5.4583]
_cell_length_b [5.4273]
_cell_length_c [9.8118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiErSO]
_chemical_formula_sum '[Li4 Er4 S4 O4]'
_cell_volume [280.6027]
_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
[
  Li  Li0  2  0.0248  0.2239  0.4267  1
  Li  Li1  2  0.4779  0.5867  0.4177  1
  Er  Er2  2  0.0515  0.8386  0.1159  1
  Er  Er3  2  0.4479  0.8363  0.8854  1
  S  S4  2  0.1262  0.1193  0.6703  1
  S  S5  2  0.3802  0.1241  0.3314  1
  O  O6  2  0.2494  0.0849  0.9999  1
  O  O7  2  0.2495  0.5863  0.0005  1
]