data_[La3Nd9Ru24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4299]
_cell_length_b [5.4299]
_cell_length_c [26.7358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LaNd3Ru8]
_chemical_formula_sum '[La3 Nd9 Ru24]'
_cell_volume [682.6724]
_cell_formula_units_Z [3]
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
[
  La  La0  3  0.0000  0.0000  0.8735  1
  Nd  Nd1  3  0.0000  0.0000  0.3740  1
  Nd  Nd2  3  0.0000  0.0000  0.4990  1
  Nd  Nd3  3  0.0000  0.0000  0.9982  1
  Ru  Ru4  9  0.1705  0.3410  0.2711  1
  Ru  Ru5  9  0.1719  0.3438  0.7697  1
  Ru  Ru6  3  0.0000  0.0000  0.1913  1
  Ru  Ru7  3  0.0000  0.0000  0.6917  1
]