data_[Er6Rh2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [8.8592]
_cell_length_b [4.1722]
_cell_length_c [12.2869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er3RhI3]
_chemical_formula_sum '[Er6 Rh2 I6]'
_cell_volume [453.2271]
_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
[
  Er  Er0  2  0.0972  0.2500  0.8151  1
  Er  Er1  2  0.1387  0.2500  0.3708  1
  Er  Er2  2  0.2532  0.7500  0.6010  1
  Rh  Rh3  2  0.0514  0.2500  0.5920  1
  I  I4  2  0.1429  0.2500  0.1060  1
  I  I5  2  0.3528  0.7500  0.8626  1
  I  I6  2  0.4262  0.7500  0.3664  1
]