data_[Er4In8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6396]
_cell_length_b [13.5262]
_cell_length_c [7.7856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er(InI3)2]
_chemical_formula_sum '[Er4 In8 I24]'
_cell_volume [1679.4845]
_cell_formula_units_Z [4]
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  0.0000  0.0875  0.2500  1
  In  In1  8  0.2084  0.4141  0.2984  1
  I  I2  8  0.0984  0.4253  0.9106  1
  I  I3  8  0.1052  0.0753  0.9870  1
  I  I4  8  0.1163  0.2366  0.4612  1
]