data_[Nd2Ga8Ru2]
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 [P2_1/m]
_cell_length_a [4.3162]
_cell_length_b [6.4642]
_cell_length_c [8.3803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdGa4Ru]
_chemical_formula_sum '[Nd2 Ga8 Ru2]'
_cell_volume [228.6074]
_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
[
  Nd  Nd0  2  0.4064  0.2500  0.7724  1.0
  Ga  Ga1  4  0.1420  0.0485  0.3652  1.0
  Ga  Ga2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  2  0.4421  0.7500  0.8568  1.0
  Ru  Ru4  2  0.3260  0.7500  0.5544  1.0
]