data_[Li2Er4Pb2S2]
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 [7.5109]
_cell_length_b [3.9566]
_cell_length_c [8.0701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiEr2PbS]
_chemical_formula_sum '[Li2 Er4 Pb2 S2]'
_cell_volume [227.1098]
_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  0.4470  0.7500  0.3591  1.0
  Er  Er1  2  0.1142  0.2500  0.3853  1.0
  Er  Er2  2  0.2440  0.2500  0.9805  1.0
  Pb  Pb3  2  0.3277  0.7500  0.7052  1.0
  S  S4  2  0.1458  0.7500  0.1689  1.0
]