data_[In8Ge4Pb4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.2300]
_cell_length_b [14.1779]
_cell_length_c [7.3521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In2GePbSe6]
_chemical_formula_sum '[In8 Ge4 Pb4 Se24]'
_cell_volume [1365.5209]
_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  8  0.0788  0.4075  0.1142  1.0
  Ge  Ge1  4  0.0000  0.1663  0.7500  1.0
  Pb  Pb2  4  0.0000  0.0891  0.2500  1.0
  Se  Se3  8  0.1236  0.0681  0.6974  1.0
  Se  Se4  8  0.1265  0.2414  0.0385  1.0
  Se  Se5  8  0.1269  0.4260  0.5068  1.0
]