data_[Nd15Co6B18]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4760]
_cell_length_b [5.4760]
_cell_length_c [24.6375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd5(CoB3)2]
_chemical_formula_sum '[Nd15 Co6 B18]'
_cell_volume [639.8131]
_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  6  0.0000  0.0000  0.2509  1
  Nd  Nd1  6  0.0000  0.0000  0.4167  1
  Nd  Nd2  3  0.0000  0.0000  0.0000  1
  Co  Co3  6  0.0000  0.0000  0.1232  1
  B  B4  18  0.0000  0.3324  0.5000  1
]