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 [17.6932]
_cell_length_b [5.1422]
_cell_length_c [6.7366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8038]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Co2Ru]
_chemical_formula_sum '[Nd16 Co4 Ru2]'
_cell_volume [603.9527]
_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  0.0457  0.0000  0.7886  1
  Nd  Nd1  4  0.0863  0.5000  0.4205  1
  Nd  Nd2  4  0.1709  0.5000  0.9598  1
  Nd  Nd3  4  0.1989  0.0000  0.3457  1
  Co  Co4  4  0.2131  0.0000  0.7380  1
  Ru  Ru5  2  0.0000  0.5000  0.0000  1
]