data_[Er9Zn24Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.2361]
_cell_length_b [5.2361]
_cell_length_c [26.4152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Er3Zn8Ir]
_chemical_formula_sum '[Er9 Zn24 Ir3]'
_cell_volume [627.1803]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0116  1
  Er  Er1  3  0.0000  0.0000  0.4955  1
  Er  Er2  3  0.0000  0.0000  0.6215  1
  Zn  Zn3  9  0.1673  0.3347  0.3986  1
  Zn  Zn4  9  0.1687  0.3373  0.8935  1
  Zn  Zn5  3  0.0000  0.0000  0.3141  1
  Zn  Zn6  3  0.0000  0.0000  0.8121  1
  Ir  Ir7  3  0.0000  0.0000  0.1188  1
]