data_[Er20Ir8]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.6211]
_cell_length_b [6.4375]
_cell_length_c [7.1582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er5Ir2]
_chemical_formula_sum '[Er20 Ir8]'
_cell_volume [714.2957]
_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  8  0.0919  0.1178  0.4184  1.0
  Er  Er1  8  0.2202  0.4316  0.8162  1.0
  Er  Er2  4  0.0000  0.4290  0.7500  1.0
  Ir  Ir3  8  0.1099  0.2844  0.0739  1.0
]