data_[Nd4Al5Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3469]
_cell_length_b [3.6302]
_cell_length_c [9.5240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2916]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4Al5Cu2]
_chemical_formula_sum '[Nd4 Al5 Cu2]'
_cell_volume [253.5928]
_cell_formula_units_Z [1]
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  0.1672  0.5000  0.8760  1
  Nd  Nd1  2  0.2616  0.5000  0.4450  1
  Al  Al2  2  0.2050  0.0000  0.1658  1
  Al  Al3  2  0.4423  0.0000  0.7078  1
  Al  Al4  1  0.5000  0.0000  0.0000  1
  Cu  Cu5  2  0.0579  0.0000  0.6348  1
]