data_[Nd4Co2Ru2]
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 [P2_1/m]
_cell_length_a [5.7118]
_cell_length_b [4.1104]
_cell_length_c [8.3317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd2CoRu]
_chemical_formula_sum '[Nd4 Co2 Ru2]'
_cell_volume [186.5160]
_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  2  0.2196  0.7500  0.4304  1
  Nd  Nd1  2  0.2829  0.2500  0.0760  1
  Co  Co2  2  0.1664  0.7500  0.7804  1
  Ru  Ru3  2  0.3307  0.2500  0.7256  1
]