data_[Er8Ir2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ir  2.2000  1.3500  0.7650
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6670]
_cell_length_b [4.1172]
_cell_length_c [8.8502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2265]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er4IrI5]
_chemical_formula_sum '[Er8 Ir2 I10]'
_cell_volume [700.3716]
_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  0.0011  0.0000  0.1983  1.0
  Er  Er1  4  0.1412  0.5000  0.0726  1.0
  Ir  Ir2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1683  0.0000  0.3414  1.0
  I  I4  4  0.1784  0.0000  0.8334  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]