data_[Bi18Rh4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1497]
_cell_length_b [13.8974]
_cell_length_c [9.2497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Bi9Rh2I3]
_chemical_formula_sum '[Bi18 Rh4 I6]'
_cell_volume [978.0090]
_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
[
  Bi  Bi0  4  0.1384  0.5378  0.8140  1
  Bi  Bi1  4  0.1805  0.6350  0.3735  1
  Bi  Bi2  4  0.3047  0.0327  0.1474  1
  Bi  Bi3  2  0.0952  0.2500  0.1733  1
  Bi  Bi4  2  0.1633  0.2500  0.8440  1
  Bi  Bi5  2  0.2841  0.7500  0.1137  1
  Rh  Rh6  4  0.0228  0.6004  0.0549  1
  I  I7  4  0.3239  0.0985  0.5737  1
  I  I8  2  0.4132  0.7500  0.7868  1
]