data_[Ga2Ni16Ir4]
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 [C2/m]
_cell_length_a [12.9356]
_cell_length_b [3.6379]
_cell_length_c [5.7458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga(Ni4Ir)2]
_chemical_formula_sum '[Ga2 Ni16 Ir4]'
_cell_volume [259.5341]
_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
[
  Ga  Ga0  2  0.0000  0.5000  0.0000  1
  Ni  Ni1  4  0.0449  0.0000  0.7256  1
  Ni  Ni2  4  0.0889  0.5000  0.4517  1
  Ni  Ni3  4  0.1347  0.0000  0.1796  1
  Ni  Ni4  4  0.1816  0.5000  0.9137  1
  Ir  Ir5  4  0.2237  0.0000  0.6391  1
]