data_[Ga4Sb4Pb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Sb  2.0500  1.4500  0.8300
  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 [4.0841]
_cell_length_b [18.6249]
_cell_length_c [13.0188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [GaSbPb2Se5]
_chemical_formula_sum '[Ga4 Sb4 Pb8 Se20]'
_cell_volume [990.2923]
_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  0.4441  0.4294  1.0
  Sb  Sb1  4  0.0000  0.2055  0.0270  1.0
  Pb  Pb2  4  0.0000  0.1216  0.3232  1.0
  Pb  Pb3  4  0.0000  0.1244  0.6798  1.0
  Se  Se4  4  0.0000  0.0386  0.0378  1.0
  Se  Se5  4  0.0000  0.2886  0.6787  1.0
  Se  Se6  4  0.0000  0.3180  0.3662  1.0
  Se  Se7  4  0.0000  0.3526  0.0110  1.0
  Se  Se8  4  0.0000  0.4898  0.7709  1.0
]