data_[Nd8Mg2Ru4]
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 [P1]
_cell_length_a [7.4199]
_cell_length_b [7.5097]
_cell_length_c [7.5208]
_cell_angle_alpha [85.8567]
_cell_angle_beta [73.8413]
_cell_angle_gamma [71.9403]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Nd4MgRu2]
_chemical_formula_sum '[Nd8 Mg2 Ru4]'
_cell_volume [382.6342]
_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  0.1576  0.8821  0.1560  1.0
  Nd  Nd1  1  0.1618  0.4035  0.1689  1.0
  Nd  Nd2  1  0.2194  0.3467  0.6628  1.0
  Nd  Nd3  1  0.3594  0.7819  0.6382  1.0
  Nd  Nd4  1  0.5785  0.0348  0.2656  1.0
  Nd  Nd5  1  0.6686  0.5395  0.0111  1.0
  Nd  Nd6  1  0.7431  0.3293  0.5015  1.0
  Nd  Nd7  1  0.9133  0.7658  0.5720  1.0
  Mg  Mg8  1  0.5371  0.0369  0.8549  1.0
  Mg  Mg9  1  0.9288  0.0907  0.8454  1.0
  Ru  Ru10  1  0.1329  0.0928  0.4643  1.0
  Ru  Ru11  1  0.3844  0.5486  0.3575  1.0
  Ru  Ru12  1  0.7609  0.6650  0.3109  1.0
  Ru  Ru13  1  0.9541  0.7323  0.9409  1.0
]