data_[Ga16Re2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Re  1.9000  1.3500  0.7125
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9365]
_cell_length_b [8.8222]
_cell_length_c [4.6819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga8ReIr2]
_chemical_formula_sum '[Ga16 Re2 Ir4]'
_cell_volume [417.7350]
_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  8  0.1364  0.2274  0.0261  1.0
  Ga  Ga1  4  0.0752  0.5000  0.3358  1.0
  Ga  Ga2  4  0.1273  0.0000  0.5653  1.0
  Re  Re3  2  0.0000  0.0000  0.0000  1.0
  Ir  Ir4  4  0.1826  0.5000  0.9381  1.0
]