data_[Nd6Co8Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.9496]
_cell_length_b [3.9496]
_cell_length_c [24.6798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Nd3(Co2Ni)2]
_chemical_formula_sum '[Nd6 Co8 Ni4]'
_cell_volume [333.4011]
_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  0.3333  0.6667  0.0832  1
  Nd  Nd1  2  0.3333  0.6667  0.4149  1
  Nd  Nd2  2  0.3333  0.6667  0.7484  1
  Co  Co3  2  0.0000  0.0000  0.1661  1
  Co  Co4  2  0.6667  0.3333  0.3331  1
  Co  Co5  2  0.6667  0.3333  0.8340  1
  Co  Co6  1  0.0000  0.0000  0.5000  1
  Co  Co7  1  0.6667  0.3333  0.5000  1
  Ni  Ni8  2  0.0000  0.0000  0.3331  1
  Ni  Ni9  1  0.0000  0.0000  0.0000  1
  Ni  Ni10  1  0.6667  0.3333  0.0000  1
]