data_[Nd3Mg3Ru3]
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 [P-62m]
_cell_length_a [7.3010]
_cell_length_b [7.3010]
_cell_length_c [4.2442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [NdMgRu]
_chemical_formula_sum '[Nd3 Mg3 Ru3]'
_cell_volume [195.9281]
_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
[
  Nd  Nd0  3  0.0000  0.5833  0.5000  1.0
  Mg  Mg1  3  0.0000  0.2398  0.0000  1.0
  Ru  Ru2  2  0.3333  0.6667  0.0000  1.0
  Ru  Ru3  1  0.0000  0.0000  0.5000  1.0
]