data_[Er4Rh2I4]
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 [C2/m]
_cell_length_a [7.0676]
_cell_length_b [4.0779]
_cell_length_c [11.9565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2RhI2]
_chemical_formula_sum '[Er4 Rh2 I4]'
_cell_volume [336.3186]
_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  4  0.2140  0.5000  0.6279  1
  Rh  Rh1  2  0.0000  0.0000  0.5000  1
  I  I2  4  0.0526  0.5000  0.1911  1
]