data_GaReRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   144.82
_cell_angle_beta   131.53
_cell_angle_gamma   61.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReRu
_chemical_formula_sum   'Ga1 Re1 Ru1'
_cell_volume   43.33
_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  0.0  0.0  0.02  1.0
  Re  Re1  1  0.0  0.0  0.36  1.0
  Ru  Ru2  1  0.0  0.0  0.66  1.0

data_GaReRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.83
_cell_length_c   4.66
_cell_angle_alpha   114.24
_cell_angle_beta   107.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaReRu
_chemical_formula_sum   'Ga1 Re1 Ru1'
_cell_volume   43.33
_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  0.0  0.02  0.02  1.0
  Re  Re1  1  0.0  0.36  0.36  1.0
  Ru  Ru2  1  0.0  0.66  0.66  1.0

Ga Re Ru