data_[Nd8Ga20Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [9.9923]
_cell_length_b [13.0506]
_cell_length_c [5.8397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Nd2Ga5Ru3]
_chemical_formula_sum '[Nd8 Ga20 Ru12]'
_cell_volume [761.5253]
_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
[
  Nd  Nd0  8  0.2283  0.3578  0.5000  1.0
  Ga  Ga1  8  0.0000  0.2015  0.2500  1.0
  Ga  Ga2  8  0.1822  0.0844  0.5000  1.0
  Ga  Ga3  4  0.0000  0.5000  0.2500  1.0
  Ru  Ru4  8  0.0796  0.3491  0.0000  1.0
  Ru  Ru5  4  0.0000  0.0000  0.2500  1.0
]