data_[Sr8Sn4Pb4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0646]
_cell_length_b [18.9012]
_cell_length_c [12.6145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2SnPbS5]
_chemical_formula_sum '[Sr8 Sn4 Pb4 S20]'
_cell_volume [969.1154]
_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
[
  Sr  Sr0  4  0.0000  0.1198  0.6763  1.0
  Sr  Sr1  4  0.0000  0.1348  0.3252  1.0
  Sn  Sn2  4  0.0000  0.4517  0.4275  1.0
  Pb  Pb3  4  0.0000  0.2134  0.0366  1.0
  S  S4  4  0.0000  0.0300  0.0421  1.0
  S  S5  4  0.0000  0.2829  0.6926  1.0
  S  S6  4  0.0000  0.3346  0.3533  1.0
  S  S7  4  0.0000  0.3572  0.0054  1.0
  S  S8  4  0.0000  0.4835  0.7651  1.0
]