data_[Zr8Ga4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5880]
_cell_length_b [5.5814]
_cell_length_c [7.0435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr2GaIr2]
_chemical_formula_sum '[Zr8 Ga4 Ir8]'
_cell_volume [360.8469]
_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
[
  Zr  Zr0  8  0.1573  0.3713  0.6543  1.0
  Ga  Ga1  4  0.0000  0.2177  0.2500  1.0
  Ir  Ir2  8  0.1293  0.1175  0.9872  1.0
]