data_[Nd12In6Ru2]
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 [Pnnm]
_cell_length_a [9.3649]
_cell_length_b [11.8296]
_cell_length_c [5.4448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Nd6In3Ru]
_chemical_formula_sum '[Nd12 In6 Ru2]'
_cell_volume [603.1847]
_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  4  0.0088  0.7620  0.0000  1.0
  Nd  Nd1  4  0.1519  0.9213  0.5000  1.0
  Nd  Nd2  4  0.1921  0.5735  0.5000  1.0
  In  In3  4  0.1571  0.2670  0.5000  1.0
  In  In4  2  0.0000  0.5000  0.0000  1.0
  Ru  Ru5  2  0.0000  0.0000  0.0000  1.0
]