data_SrTaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.96
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaRu2
_chemical_formula_sum   'Sr1 Ta1 Ru2'
_cell_volume   86.11
_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
  Sr  Sr2  1  0.0  0.0  0.27  1.0
  Ta  Ta3  1  0.56  0.98  0.01  1.0
  Ru  Ru0  1  0.0  0.0  0.79  1.0
  Ru  Ru1  1  0.56  0.98  0.36  1.0

data_SrTaRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.96
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaRu2
_chemical_formula_sum   'Sr1 Ta1 Ru2'
_cell_volume   86.11
_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
  Sr  Sr0  1  0.0  0.0  0.27  1.0
  Ta  Ta1  1  0.56  0.98  0.01  1.0
  Ru  Ru2  1  0.0  0.0  0.79  1.0
  Ru  Ru3  1  0.56  0.98  0.36  1.0

Sr Ta Ru Ru
Sr Ta Ru Ru 0 3 - - o 0 1 o - o 0 1 - - o 1 2 o + - 1 2 + + - 1 3 o o o 