data_GaPt2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   148.98
_cell_angle_beta   130.12
_cell_angle_gamma   59.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPt2Au
_chemical_formula_sum   'Ga1 Pt2 Au1'
_cell_volume   64.53
_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  0.2  1.0
  Pt  Pt2  1  0.0  0.31  0.52  1.0
  Pt  Pt3  1  0.0  0.0  0.34  1.0
  Au  Au0  1  0.0  0.31  0.2  1.0

data_GaPt2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.63
_cell_length_c   5.49
_cell_angle_alpha   114.94
_cell_angle_beta   105.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPt2Au
_chemical_formula_sum   'Ga1 Pt2 Au1'
_cell_volume   64.53
_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  0.8  0.8  0.8  1.0
  Pt  Pt1  1  0.48  0.79  0.79  1.0
  Pt  Pt2  1  0.66  0.66  0.66  1.0
  Au  Au3  1  0.8  0.11  0.11  1.0

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