data_[Nd36Co3Cu18]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.6975]
_cell_length_b [11.6975]
_cell_length_c [13.2359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12CoCu6]
_chemical_formula_sum '[Nd36 Co3 Cu18]'
_cell_volume [1568.4403]
_cell_formula_units_Z [3]
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  18  0.0366  0.8388  0.8805  1
  Nd  Nd1  18  0.0381  0.1964  0.3880  1
  Co  Co2  3  0.0000  0.0000  0.0000  1
  Cu  Cu3  18  0.0052  0.4008  0.2537  1
]