data_[In8Ag4Pb4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4775]
_cell_length_b [19.3672]
_cell_length_c [14.4247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [In2AgPbBr5]
_chemical_formula_sum '[In8 Ag4 Pb4 Br20]'
_cell_volume [1250.8567]
_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  0.0906  0.6692  1.0
  In  In1  4  0.0000  0.1299  0.3220  1.0
  Ag  Ag2  4  0.0000  0.4513  0.4339  1.0
  Pb  Pb3  4  0.0000  0.2101  0.0297  1.0
  Br  Br4  4  0.0000  0.0468  0.0408  1.0
  Br  Br5  4  0.0000  0.2826  0.6752  1.0
  Br  Br6  4  0.0000  0.3054  0.3842  1.0
  Br  Br7  4  0.0000  0.3635  0.0015  1.0
  Br  Br8  4  0.0000  0.4911  0.7674  1.0
]