data_Ga2FeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51
_cell_length_b   8.51
_cell_length_c   8.51
_cell_angle_alpha   18.78
_cell_angle_beta   18.78
_cell_angle_gamma   18.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2FeRu
_chemical_formula_sum   'Ga2 Fe1 Ru1'
_cell_volume   55.88
_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  0.19  1.0
  Ga  Ga2  1  0.0  0.0  0.17  1.0
  Fe  Fe0  1  0.0  0.0  0.85  1.0
  Ru  Ru3  1  0.0  0.0  0.41  1.0

data_Ga2FeRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   2.78
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   100.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2FeRu
_chemical_formula_sum   'Ga4 Fe2 Ru2'
_cell_volume   111.77
_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  0.81  1.0
  Ga  Ga1  2  -0.0  0.0  0.83  1.0
  Fe  Fe2  2  -0.0  0.0  0.15  1.0
  Ru  Ru3  2  -0.0  0.0  0.59  1.0

Ga Ga Fe Ru
Ga Ga Fe Ru 0 1 o o o 0 2 o o - 0 3 o o o 1 2 o o - 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 