data_CuSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   135.53
_cell_angle_beta   135.53
_cell_angle_gamma   64.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSn2Au
_chemical_formula_sum   'Cu1 Sn2 Au1'
_cell_volume   83.1
_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  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.1  0.0  0.35  1.0
  Sn  Sn3  1  0.0  0.0  0.7  1.0
  Au  Au0  1  0.0  0.1  0.35  1.0

data_CuSn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.56
_cell_angle_alpha   112.24
_cell_angle_beta   112.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSn2Au
_chemical_formula_sum   'Cu1 Sn2 Au1'
_cell_volume   83.1
_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  Cu0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.35  0.24  0.24  1.0
  Sn  Sn2  1  0.7  0.7  0.7  1.0
  Au  Au3  1  0.24  0.35  0.24  1.0

Cu Sn Sn Au