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 [Pnma]
_cell_length_a [12.3151]
_cell_length_b [3.9889]
_cell_length_c [14.2939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Y2PbS4]
_chemical_formula_sum '[Y8 Pb4 S16]'
_cell_volume [702.1779]
_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  4  0.0620  0.7500  0.1150  1
  Y  Y1  4  0.0874  0.7500  0.5945  1
  Pb  Pb2  4  0.2424  0.2500  0.8313  1
  S  S3  4  0.0436  0.2500  0.7182  1
  S  S4  4  0.0879  0.7500  0.9259  1
  S  S5  4  0.1245  0.2500  0.4660  1
  S  S6  4  0.2024  0.2500  0.1709  1
]