data_NdSnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSnAu
_chemical_formula_sum   'Nd2 Sn2 Au2'
_cell_volume   152.79
_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  Nd2  1  0.0  0.0  0.87  1.0
  Nd  Nd3  1  0.0  0.0  0.72  1.0
  Sn  Sn0  1  0.4  0.38  0.45  1.0
  Sn  Sn1  1  0.0  0.77  0.61  1.0
  Au  Au4  1  0.0  0.77  0.47  1.0
  Au  Au5  1  0.4  0.38  0.31  1.0

data_NdSnAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdSnAu
_chemical_formula_sum   'Nd2 Sn2 Au2'
_cell_volume   152.79
_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  1  0.0  0.0  0.72  1.0
  Nd  Nd1  1  0.0  0.0  0.87  1.0
  Sn  Sn2  1  0.0  0.77  0.61  1.0
  Sn  Sn3  1  0.4  0.38  0.45  1.0
  Au  Au4  1  0.0  0.77  0.47  1.0
  Au  Au5  1  0.4  0.38  0.31  1.0

Nd Nd Sn Sn Au Au
Nd Nd Sn Sn Au Au 0 1 o o o 1 3 o - o 2 5 o o o 3 4 o o o 