data_[Li6Ce2Er4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8301]
_cell_length_b [11.8390]
_cell_length_c [6.5651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Ce(ErS3)2]
_chemical_formula_sum '[Li6 Ce2 Er4 S12]'
_cell_volume [498.2767]
_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
[
  Li  Li0  4  0.0000  0.1714  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  2  0.0000  0.0000  0.0000  1.0
  Er  Er3  4  0.0000  0.3337  0.0000  1.0
  S  S4  8  0.2448  0.3278  0.7493  1.0
  S  S5  4  0.2394  0.5000  0.2525  1.0
]