data_[Ga18Ni24Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.9440]
_cell_length_b [6.9440]
_cell_length_c [14.7937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ga6Ni8Ir]
_chemical_formula_sum '[Ga18 Ni24 Ir3]'
_cell_volume [617.7632]
_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
[
  Ga  Ga0  18  0.0045  0.6618  0.0638  1
  Ni  Ni1  18  0.0016  0.6636  0.5571  1
  Ni  Ni2  6  0.0000  0.0000  0.3298  1
  Ir  Ir3  3  0.0000  0.0000  0.0000  1
]