data_Cd2SnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   132.23
_cell_angle_beta   132.23
_cell_angle_gamma   69.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SnAu
_chemical_formula_sum   'Cd2 Sn1 Au1'
_cell_volume   88.45
_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
  Cd  Cd1  1  0.0  0.22  0.25  1.0
  Cd  Cd2  1  0.22  0.0  0.25  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.49  1.0

data_Cd2SnAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   124.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2SnAu
_chemical_formula_sum   'Cd4 Sn2 Au2'
_cell_volume   176.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Cd  Cd0  4  0.36  0.39  0.97  1.0
  Sn  Sn1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.01  0.5  0.51  1.0

Cd Cd Sn Au
Cd Cd Sn Au 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 2 3 o o - 