data_[Ga4Sn4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [3.8576]
_cell_length_b [17.6391]
_cell_length_c [12.7189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [GaSnPb2S5]
_chemical_formula_sum '[Ga4 Sn4 Pb8 S20]'
_cell_volume [865.4628]
_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
[
  Ga  Ga0  4  0.0000  0.4481  0.4287  1
  Sn  Sn1  4  0.0000  0.2052  0.0280  1
  Pb  Pb2  4  0.0000  0.1208  0.6734  1
  Pb  Pb3  4  0.0000  0.1272  0.3235  1
  S  S4  4  0.0000  0.0389  0.0331  1
  S  S5  4  0.0000  0.2893  0.6745  1
  S  S6  4  0.0000  0.3211  0.3767  1
  S  S7  4  0.0000  0.3536  0.0108  1
  S  S8  4  0.0000  0.4885  0.7752  1
]