data_[In4Ag2Bi2I12]
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
  Bi  2.0200  1.6000  1.0350
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.9500]
_cell_length_b [8.6831]
_cell_length_c [13.9710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.7465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [In2AgBiI6]
_chemical_formula_sum '[In4 Ag2 Bi2 I12]'
_cell_volume [801.9256]
_cell_formula_units_Z [2]
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  0.3011  0.6068  0.7582  1.0
  Ag  Ag1  2  0.5000  0.0000  0.0000  1.0
  Bi  Bi2  2  0.0000  0.0000  0.5000  1.0
  I  I3  4  0.1337  0.5248  0.2559  1.0
  I  I4  4  0.2349  0.1878  0.0549  1.0
  I  I5  4  0.3776  0.6895  0.0542  1.0
]