data_[Nd6Al4Co8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2679]
_cell_length_b [4.0539]
_cell_length_c [8.3093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(AlCo2)2]
_chemical_formula_sum '[Nd6 Al4 Co8]'
_cell_volume [341.1450]
_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  0.1289  0.5000  0.3746  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.1733  0.5000  0.7806  1.0
  Co  Co3  4  0.0785  0.0000  0.6277  1.0
  Co  Co4  4  0.2405  0.5000  0.0798  1.0
]