data_[Nd16Mg4Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4836]
_cell_length_b [5.4581]
_cell_length_c [7.0063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Mg2Cu]
_chemical_formula_sum '[Nd16 Mg4 Cu2]'
_cell_volume [683.7787]
_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  0.0180  0.0000  0.7731  1
  Nd  Nd1  4  0.0922  0.5000  0.4423  1
  Nd  Nd2  4  0.1510  0.5000  0.9527  1
  Nd  Nd3  4  0.1988  0.0000  0.2780  1
  Mg  Mg4  4  0.1886  0.0000  0.7273  1
  Cu  Cu5  2  0.0000  0.5000  0.0000  1
]