data_[Er16Ir10Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.5871]
_cell_length_b [8.5871]
_cell_length_c [8.5357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Er8Ir5Au]
_chemical_formula_sum '[Er16 Ir10 Au2]'
_cell_volume [629.4109]
_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  8  0.0648  0.3116  0.4306  1
  Er  Er1  8  0.0685  0.1761  0.8089  1
  Ir  Ir2  8  0.1298  0.2467  0.1203  1
  Ir  Ir3  2  0.0000  0.0000  0.5000  1
  Au  Au4  2  0.0000  0.5000  0.7500  1
]