data_Ga2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   134.11
_cell_angle_beta   134.11
_cell_angle_gamma   66.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2PtAu
_chemical_formula_sum   'Ga2 Pt1 Au1'
_cell_volume   65.1
_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
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.97  0.0  0.1  1.0
  Pt  Pt3  1  0.0  0.0  0.21  1.0
  Au  Au0  1  0.0  0.97  0.1  1.0

data_Ga2PtAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   5.04
_cell_angle_alpha   112.95
_cell_angle_beta   112.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2PtAu
_chemical_formula_sum   'Ga2 Pt1 Au1'
_cell_volume   65.1
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.9  0.0  0.86  1.0
  Pt  Pt2  1  0.79  0.0  0.79  1.0
  Au  Au3  1  0.86  0.97  0.86  1.0

Ga Ga Pt Au
Ga Ga Pt Au 0 1 - o o 0 3 o - o 1 3 + - o 1 2 + o o 2 3 o - o 