data_[Nd16Mg2Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7282]
_cell_length_b [5.2625]
_cell_length_c [7.3532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8MgAu2]
_chemical_formula_sum '[Nd16 Mg2 Au4]'
_cell_volume [690.0612]
_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  0.0302  0.0000  0.7669  1.0
  Nd  Nd1  4  0.0913  0.5000  0.4714  1.0
  Nd  Nd2  4  0.1732  0.5000  0.9745  1.0
  Nd  Nd3  4  0.1935  0.0000  0.3220  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1834  0.0000  0.7177  1.0
]