data_[Nd6Al6Cu16]
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 [Immm]
_cell_length_a [4.2837]
_cell_length_b [8.9253]
_cell_length_c [12.8428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3Al3Cu8]
_chemical_formula_sum '[Nd6 Al6 Cu16]'
_cell_volume [491.0199]
_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  0.0000  0.0000  0.2055  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  4  0.0000  0.2041  0.0000  1.0
  Al  Al3  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu4  8  0.0000  0.2860  0.3716  1.0
  Cu  Cu5  8  0.0000  0.3536  0.1651  1.0
]