data_[Ga16Rh2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4497]
_cell_length_b [4.0279]
_cell_length_c [5.6438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga8RhAu2]
_chemical_formula_sum '[Ga16 Rh2 Au4]'
_cell_volume [401.8467]
_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  4  0.0211  0.0000  0.7433  1.0
  Ga  Ga1  4  0.0995  0.5000  0.4096  1.0
  Ga  Ga2  4  0.1367  0.5000  0.9591  1.0
  Ga  Ga3  4  0.2201  0.0000  0.2530  1.0
  Rh  Rh4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1742  0.0000  0.6782  1.0
]