data_[Er4Ag4Pb4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1165]
_cell_length_b [4.1529]
_cell_length_c [15.9618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ErAgPbS3]
_chemical_formula_sum '[Er4 Ag4 Pb4 S12]'
_cell_volume [538.0202]
_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
[
  Er  Er0  4  0.2426  0.7500  0.0368  1
  Ag  Ag1  4  0.1249  0.7500  0.3648  1
  Pb  Pb2  4  0.0824  0.7500  0.7734  1
  S  S3  4  0.0361  0.7500  0.5874  1
  S  S4  4  0.1155  0.2500  0.9486  1
  S  S5  4  0.1792  0.7500  0.2059  1
]