data_[Nd16Os2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1132]
_cell_length_b [5.0026]
_cell_length_c [7.0405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8OsRu2]
_chemical_formula_sum '[Nd16 Os2 Ru4]'
_cell_volume [612.5578]
_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  0.0302  0.0000  0.7926  1.0
  Nd  Nd1  4  0.0937  0.5000  0.4505  1.0
  Nd  Nd2  4  0.1676  0.5000  0.9660  1.0
  Nd  Nd3  4  0.2043  0.0000  0.3192  1.0
  Ru  Ru4  4  0.1876  0.0000  0.7012  1.0
  Os  Os5  2  0.0000  0.5000  0.0000  1.0
]