data_[Nd8Sn8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5367]
_cell_length_b [4.6778]
_cell_length_c [11.2557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Sn2Au]
_chemical_formula_sum '[Nd8 Sn8 Au4]'
_cell_volume [542.8777]
_cell_formula_units_Z [4]
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  0.0039  0.0000  0.3272  1.0
  Nd  Nd1  4  0.1826  0.0000  0.1092  1.0
  Sn  Sn2  4  0.0374  0.5000  0.8883  1.0
  Sn  Sn3  4  0.1482  0.5000  0.5629  1.0
  Au  Au4  4  0.2118  0.5000  0.3356  1.0
]