data_[Li4Eu4Er4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Eu  1.2000  1.8500  1.1985
  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 [16.7081]
_cell_length_b [3.8834]
_cell_length_c [8.1547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiEuErS3]
_chemical_formula_sum '[Li4 Eu4 Er4 S12]'
_cell_volume [512.5080]
_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  4  0.0038  0.5000  0.2013  1
  Eu  Eu1  4  0.1330  0.0000  0.5645  1
  Er  Er2  4  0.1658  0.0000  0.0884  1
  S  S3  4  0.1672  0.5000  0.8541  1
  S  S4  4  0.1753  0.5000  0.3188  1
  S  S5  2  0.0000  0.0000  0.0000  1
  S  S6  2  0.0000  0.5000  0.5000  1
]