data_[Li2Er2Pb2S6]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2698]
_cell_length_b [3.9646]
_cell_length_c [8.5743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiErPbS3]
_chemical_formula_sum '[Li2 Er2 Pb2 S6]'
_cell_volume [274.2709]
_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  2  0.0832  0.2500  0.5867  1.0
  Er  Er1  2  0.3315  0.7500  0.8337  1.0
  Pb  Pb2  2  0.1891  0.2500  0.2344  1.0
  S  S3  2  0.1171  0.2500  0.8694  1.0
  S  S4  2  0.2118  0.7500  0.5152  1.0
  S  S5  2  0.4383  0.7500  0.1624  1.0
]