data_[Rh6Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rh  2.2800  1.3500  0.7450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.6209]
_cell_length_b [4.2760]
_cell_length_c [5.3863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [RhCl]
_chemical_formula_sum '[Rh6 Cl6]'
_cell_volume [221.5889]
_cell_formula_units_Z [6]
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
[
  Rh  Rh0  4  0.2248  0.0396  0.2855  1
  Rh  Rh1  2  0.0000  0.2688  0.5109  1
  Cl  Cl2  4  0.1645  0.4752  0.8053  1
  Cl  Cl3  2  0.0000  0.7759  0.3095  1
]