data_[Nd12Mg2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4448]
_cell_length_b [5.2693]
_cell_length_c [9.4104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6MgRu2]
_chemical_formula_sum '[Nd12 Mg2 Ru4]'
_cell_volume [506.8293]
_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  0.0390  0.0000  0.8493  1
  Nd  Nd1  4  0.1593  0.5000  0.3801  1
  Nd  Nd2  4  0.2084  0.5000  0.8354  1
  Mg  Mg3  2  0.0000  0.0000  0.5000  1
  Ru  Ru4  4  0.1124  0.5000  0.0953  1
]