data_Ga2RuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   2.95
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2RuAu
_chemical_formula_sum   'Ga2 Ru1 Au1'
_cell_volume   65.27
_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  0.49  0.0  0.59  1.0
  Ga  Ga2  1  0.49  0.0  0.99  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.29  1.0

data_Ga2RuAu
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   2.95
_cell_length_b   5.16
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   Ga2RuAu
_chemical_formula_sum   'Ga4 Ru2 Au2'
_cell_volume   130.56
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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  0.5  0.59  1.0
  Ga  Ga1  2  0.0  0.5  0.99  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.29  1.0

Ga Ga Ru Au
Ga Ga Ru Au 0 0 + + o 0 0 o + o 0 0 + o o 0 3 o o o 0 3 + o o 0 1 o o o 1 2 o o + 1 2 + o + 1 3 + o + 1 3 o o + 2 3 o o o 3 3 + + o 3 3 o + o 3 3 + o o 