data_GaPtAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   133.35
_cell_angle_beta   133.35
_cell_angle_gamma   68.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPtAu2
_chemical_formula_sum   'Ga1 Pt1 Au2'
_cell_volume   67.51
_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  Ga2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.01  0.0  0.1  1.0
  Au  Au0  1  0.0  0.0  0.2  1.0
  Au  Au1  1  0.0  0.01  0.1  1.0

data_GaPtAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   124.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaPtAu2
_chemical_formula_sum   'Ga2 Pt2 Au4'
_cell_volume   135.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Pt  Pt1  2  0.5  0.5  0.09  1.0
  Au  Au2  2  0.0  0.0  0.2  1.0
  Au  Au3  2  0.5  0.5  0.09  1.0

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