data_TaRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   4.85
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRu
_chemical_formula_sum   'Ta2 Ru2'
_cell_volume   66.07
_cell_formula_units_Z   2
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
  Ta  Ta2  1  0.0  0.42  0.93  1.0
  Ta  Ta3  1  0.57  0.0  0.4  1.0
  Ru  Ru0  1  0.0  0.0  0.54  1.0
  Ru  Ru1  1  0.57  0.42  0.79  1.0

data_TaRu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.14
_cell_length_b   4.33
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaRu
_chemical_formula_sum   'Ta2 Ru2'
_cell_volume   66.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ta  Ta0  2  0.21  0.27  0.71  1.0
  Ru  Ru1  2  0.21  0.88  0.29  1.0

Ta Ta Ru Ru