data_BaGaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   131.2
_cell_angle_beta   131.2
_cell_angle_gamma   71.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaRu2
_chemical_formula_sum   'Ba1 Ga1 Ru2'
_cell_volume   79.41
_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
  Ba  Ba0  1  0.0  0.16  0.12  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.16  0.0  0.12  1.0
  Ru  Ru3  1  0.0  0.0  0.25  1.0

data_BaGaRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.23
_cell_angle_alpha   114.4
_cell_angle_beta   114.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaRu2
_chemical_formula_sum   'Ba1 Ga1 Ru2'
_cell_volume   79.41
_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
  Ba  Ba0  1  0.04  0.16  0.04  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.75  0.0  0.75  1.0
  Ru  Ru3  1  0.88  0.0  0.04  1.0

Ba Ga Ru Ru