data_[Y8Pb4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9658]
_cell_length_b [13.0554]
_cell_length_c [13.6242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y2PbS4]
_chemical_formula_sum '[Y8 Pb4 S16]'
_cell_volume [705.3891]
_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
[
  Y  Y0  8  0.0000  0.1358  0.0673  1.0
  Pb  Pb1  4  0.0000  0.3948  0.2500  1.0
  S  S2  8  0.0000  0.2315  0.6128  1.0
  S  S3  4  0.0000  0.0482  0.2500  1.0
  S  S4  4  0.0000  0.5000  0.0000  1.0
]