data_[Nd12Zn4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3052]
_cell_length_b [9.3043]
_cell_length_c [10.1792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd6Zn2Ru]
_chemical_formula_sum '[Nd12 Zn4 Ru2]'
_cell_volume [518.2102]
_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  0.1061  0.5255  0.7157  1.0
  Nd  Nd1  4  0.1361  0.1697  0.5472  1.0
  Nd  Nd2  4  0.4345  0.6882  0.5202  1.0
  Zn  Zn3  4  0.3916  0.5942  0.2285  1.0
  Ru  Ru4  2  0.5000  0.0000  0.5000  1.0
]