data_AgSn2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   3.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSn2Au
_chemical_formula_sum   'Ag1 Sn2 Au1'
_cell_volume   89.35
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.63  0.95  0.67  1.0
  Sn  Sn3  1  0.63  0.05  0.67  1.0
  Au  Au1  1  0.26  0.0  0.0  1.0

data_AgSn2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   103.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSn2Au
_chemical_formula_sum   'Ag1 Sn2 Au1'
_cell_volume   89.35
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.67  0.63  0.05  1.0
  Sn  Sn2  1  0.67  0.63  0.95  1.0
  Au  Au3  1  0.0  0.26  0.0  1.0

Ag Sn Sn Au
Ag Sn Sn Au 0 3 o o o 1 2 o + o 