data_[In4Pb8Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2369]
_cell_length_b [8.2092]
_cell_length_c [11.1455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [InPb2Br5]
_chemical_formula_sum '[In4 Pb8 Br20]'
_cell_volume [1301.3345]
_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  0.0000  0.0000  1
  Pb  Pb1  8  0.1223  0.4971  0.7051  1
  Br  Br2  8  0.0863  0.3512  0.4373  1
  Br  Br3  8  0.2007  0.1753  0.1612  1
  Br  Br4  4  0.0000  0.2250  0.7500  1
]