data_Ag3Au4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Au4
_chemical_formula_sum   'Ag3 Au4'
_cell_volume   131.54
_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  0.68  0.0  0.64  1.0
  Ag  Ag1  1  0.66  0.32  0.64  1.0
  Ag  Ag2  1  0.34  0.32  0.64  1.0
  Au  Au3  1  0.0  0.0  0.97  1.0
  Au  Au4  1  0.0  0.0  0.3  1.0
  Au  Au5  1  0.0  0.1  0.0  1.0
  Au  Au6  1  0.68  0.55  0.0  1.0

data_Ag3Au4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.27
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag3Au4
_chemical_formula_sum   'Ag3 Au4'
_cell_volume   131.54
_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  0.64  0.34  0.32  1.0
  Ag  Ag1  1  0.64  0.66  0.32  1.0
  Ag  Ag2  1  0.64  0.68  0.0  1.0
  Au  Au3  1  0.0  0.0  0.1  1.0
  Au  Au4  1  0.0  0.68  0.55  1.0
  Au  Au5  1  0.3  0.0  0.0  1.0
  Au  Au6  1  0.97  0.0  0.0  1.0

Ag Ag Ag Au Au Au Au