data_[Er16Al4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5244]
_cell_length_b [4.9734]
_cell_length_c [6.5069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Al2Ir]
_chemical_formula_sum '[Er16 Al4 Ir2]'
_cell_volume [580.1618]
_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  0.0235  0.0000  0.7836  1.0
  Er  Er1  4  0.0906  0.5000  0.4464  1.0
  Er  Er2  4  0.1491  0.5000  0.9760  1.0
  Er  Er3  4  0.2134  0.0000  0.3094  1.0
  Al  Al4  4  0.1860  0.0000  0.7500  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]