data_[Cu2Rh2I8]
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 [Cm]
_cell_length_a [13.1055]
_cell_length_b [4.1219]
_cell_length_c [7.1517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CuRhI4]
_chemical_formula_sum '[Cu2 Rh2 I8]'
_cell_volume [377.1490]
_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  2  0.3154  0.5000  0.6416  1.0
  Rh  Rh1  2  0.4915  0.0000  0.2240  1.0
  I  I2  2  0.1000  0.0000  0.1169  1.0
  I  I3  2  0.1135  0.5000  0.5788  1.0
  I  I4  2  0.3568  0.0000  0.8685  1.0
  I  I5  2  0.3741  0.5000  0.3202  1.0
]