data_GaPdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.57
_cell_length_c   2.78
_cell_angle_alpha   82.92
_cell_angle_beta   73.16
_cell_angle_gamma   23.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPdRu
_chemical_formula_sum   'Ga1 Pd1 Ru1'
_cell_volume   44.99
_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  0.5  0.34  0.01  1.0
  Pd  Pd1  1  0.5  0.34  0.36  1.0
  Ru  Ru2  1  0.5  0.34  0.42  1.0

data_GaPdRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.0
_cell_length_b   12.79
_cell_length_c   2.78
_cell_angle_alpha   90.0
_cell_angle_beta   122.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaPdRu
_chemical_formula_sum   'Ga2 Pd2 Ru2'
_cell_volume   89.98
_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  0.01  0.0  0.51  1.0
  Pd  Pd1  2  0.36  0.0  0.86  1.0
  Ru  Ru2  2  0.42  0.0  0.92  1.0

Ga Pd Ru
Ga Pd Ru 0 2 o o o 0 1 o o o 1 2 o o o 