data_[Nd12Ho4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4339]
_cell_length_b [4.3207]
_cell_length_c [10.9149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3HoRu2]
_chemical_formula_sum '[Nd12 Ho4 Ru8]'
_cell_volume [695.9902]
_cell_formula_units_Z [4]
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  0.0522  0.0000  0.2234  1.0
  Nd  Nd1  4  0.1655  0.5000  0.0234  1.0
  Nd  Nd2  4  0.2131  0.0000  0.5987  1.0
  Ho  Ho3  4  0.0723  0.5000  0.6633  1.0
  Ru  Ru4  4  0.1159  0.5000  0.4197  1.0
  Ru  Ru5  4  0.1389  0.0000  0.8366  1.0
]