data_[In4Ga4Pb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0361]
_cell_length_b [18.5216]
_cell_length_c [13.1415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [InGaPb2Se5]
_chemical_formula_sum '[In4 Ga4 Pb8 Se20]'
_cell_volume [982.3899]
_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
[
  In  In0  4  0.0000  0.2022  0.0272  1.0
  Ga  Ga1  4  0.0000  0.4452  0.4279  1.0
  Pb  Pb2  4  0.0000  0.1242  0.3223  1.0
  Pb  Pb3  4  0.0000  0.1291  0.6722  1.0
  Se  Se4  4  0.0000  0.0435  0.0384  1.0
  Se  Se5  4  0.0000  0.2907  0.6733  1.0
  Se  Se6  4  0.0000  0.3163  0.3794  1.0
  Se  Se7  4  0.0000  0.3506  0.0114  1.0
  Se  Se8  4  0.0000  0.4886  0.7719  1.0
]