data_[Ga2Si4Ni10Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.2241]
_cell_length_b [8.2241]
_cell_length_c [3.6354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [GaSi2Ni5Ir2]
_chemical_formula_sum '[Ga2 Si4 Ni10 Ir4]'
_cell_volume [245.8829]
_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  0.0000  0.0000  1.0
  Si  Si1  4  0.1259  0.3741  0.0000  1.0
  Ni  Ni2  8  0.0713  0.2026  0.5000  1.0
  Ni  Ni3  2  0.0000  0.5000  0.5000  1.0
  Ir  Ir4  4  0.1691  0.6691  0.0000  1.0
]