data_CuSnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.43
_cell_length_c   3.04
_cell_angle_alpha   77.83
_cell_angle_beta   74.97
_cell_angle_gamma   27.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnAu
_chemical_formula_sum   'Cu1 Sn1 Au1'
_cell_volume   56.14
_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
  Cu  Cu1  1  0.03  0.27  0.16  1.0
  Sn  Sn2  1  0.03  0.27  0.35  1.0
  Au  Au0  1  0.03  0.27  0.89  1.0

data_CuSnAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.06
_cell_length_b   12.2
_cell_length_c   3.04
_cell_angle_alpha   90.0
_cell_angle_beta   131.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuSnAu
_chemical_formula_sum   'Cu2 Sn2 Au2'
_cell_volume   112.28
_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
  Cu  Cu0  2  0.03  0.0  0.19  1.0
  Sn  Sn1  2  0.03  0.0  0.38  1.0
  Au  Au2  2  0.03  0.0  0.92  1.0

Cu Sn Au