data_[Nd16Co4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6243]
_cell_length_b [5.1385]
_cell_length_c [6.7222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Co2Ru]
_chemical_formula_sum '[Nd16 Co4 Ru2]'
_cell_volume [599.8062]
_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  0.0456  0.0000  0.7884  1.0
  Nd  Nd1  4  0.0862  0.5000  0.4199  1.0
  Nd  Nd2  4  0.1707  0.5000  0.9600  1.0
  Nd  Nd3  4  0.1986  0.0000  0.3464  1.0
  Co  Co4  4  0.2135  0.0000  0.7388  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]