data_[Ga16Ir4Pd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5753]
_cell_length_b [6.7773]
_cell_length_c [5.0058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga8Ir2Pd]
_chemical_formula_sum '[Ga16 Ir4 Pd2]'
_cell_volume [386.9552]
_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  0.0967  0.2715  0.3791  1
  Ga  Ga1  4  0.0780  0.5000  0.8453  1
  Ga  Ga2  4  0.1986  0.0000  0.8324  1
  Ir  Ir3  4  0.2367  0.0000  0.3484  1
  Pd  Pd4  2  0.0000  0.0000  0.0000  1
]