data_[Li4Er4Ge8S24]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4676]
_cell_length_b [11.5106]
_cell_length_c [6.5297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3783]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiEr(GeS3)2]
_chemical_formula_sum '[Li4 Er4 Ge8 S24]'
_cell_volume [907.7152]
_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  0.0000  0.2721  0.7500  1.0
  Er  Er1  4  0.0000  0.1147  0.2500  1.0
  Ge  Ge2  8  0.2006  0.4173  0.2709  1.0
  S  S3  8  0.1129  0.0837  0.6577  1.0
  S  S4  8  0.1322  0.2563  0.1088  1.0
  S  S5  8  0.1350  0.4271  0.5653  1.0
]