data_[Cu4Rh2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1022]
_cell_length_b [8.9341]
_cell_length_c [6.6077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8535]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2RhI8]
_chemical_formula_sum '[Cu4 Rh2 I16]'
_cell_volume [853.2420]
_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
[
  Cu  Cu0  4  0.1692  0.0000  0.6856  1.0
  Rh  Rh1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0683  0.2052  0.7893  1.0
  I  I3  4  0.1584  0.5000  0.1706  1.0
  I  I4  4  0.1693  0.0000  0.2972  1.0
]