data_[Ga4Ni4Ir4]
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 [Cm]
_cell_length_a [8.3497]
_cell_length_b [3.7752]
_cell_length_c [5.2662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GaNiIr]
_chemical_formula_sum '[Ga4 Ni4 Ir4]'
_cell_volume [159.9742]
_cell_formula_units_Z [4]
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  0.0539  0.0000  0.5965  1.0
  Ga  Ga1  2  0.2498  0.5000  0.9567  1.0
  Ni  Ni2  2  0.2292  0.5000  0.4505  1.0
  Ni  Ni3  2  0.3845  0.0000  0.7779  1.0
  Ir  Ir4  2  0.0779  0.0000  0.0935  1.0
  Ir  Ir5  2  0.4058  0.0000  0.2945  1.0
]