data_[Nd8In2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.1618]
_cell_length_b [7.2336]
_cell_length_c [8.1557]
_cell_angle_alpha [107.0397]
_cell_angle_beta [104.2348]
_cell_angle_gamma [102.7989]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nd4InRu2]
_chemical_formula_sum '[Nd8 In2 Ru4]'
_cell_volume [371.3970]
_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  1  0.0940  0.7323  0.6199  1
  Nd  Nd1  1  0.1892  0.3538  0.8542  1
  Nd  Nd2  1  0.2935  0.0878  0.4561  1
  Nd  Nd3  1  0.5308  0.8629  0.0953  1
  Nd  Nd4  1  0.5528  0.4537  0.2847  1
  Nd  Nd5  1  0.6467  0.8863  0.6839  1
  Nd  Nd6  1  0.6999  0.4483  0.8403  1
  Nd  Nd7  1  0.9678  0.3172  0.1932  1
  In  In8  1  0.0567  0.8857  0.0205  1
  In  In9  1  0.8243  0.1709  0.4857  1
  Ru  Ru10  1  0.2249  0.6615  0.2258  1
  Ru  Ru11  1  0.3426  0.4955  0.5633  1
  Ru  Ru12  1  0.4442  0.1141  0.8870  1
  Ru  Ru13  1  0.8827  0.7800  0.2901  1
]