data_NaCd2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.46
_cell_angle_alpha   99.21
_cell_angle_beta   99.21
_cell_angle_gamma   35.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Au
_chemical_formula_sum   'Na1 Cd2 Au1'
_cell_volume   87.84
_cell_formula_units_Z   1
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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.76  0.0  0.96  1.0
  Cd  Cd2  1  0.46  0.0  0.42  1.0
  Au  Au0  1  0.61  0.0  0.69  1.0

data_NaCd2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.32
_cell_length_c   5.46
_cell_angle_alpha   99.21
_cell_angle_beta   90.0
_cell_angle_gamma   107.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Au
_chemical_formula_sum   'Na1 Cd2 Au1'
_cell_volume   87.84
_cell_formula_units_Z   1
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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.24  0.04  1.0
  Cd  Cd2  1  0.0  0.54  0.58  1.0
  Au  Au3  1  0.0  0.39  0.31  1.0

Na Cd Cd Au