data_[Er16Ga2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5775]
_cell_length_b [12.9364]
_cell_length_c [5.4349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Er8GaIr2]
_chemical_formula_sum '[Er16 Ga2 Ir4]'
_cell_volume [584.1705]
_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  0.1974  0.1301  0.5906  1
  Er  Er1  4  0.2965  0.3701  0.4160  1
  Er  Er2  4  0.4976  0.2605  0.0013  1
  Er  Er3  2  0.1182  0.5000  0.8049  1
  Er  Er4  2  0.3738  0.0000  0.1964  1
  Ga  Ga5  2  0.4974  0.5000  0.9810  1
  Ir  Ir6  4  0.4968  0.1895  0.5012  1
]