data_SrTaRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   6.74
_cell_angle_alpha   99.39
_cell_angle_beta   99.39
_cell_angle_gamma   42.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaRu2
_chemical_formula_sum   'Sr1 Ta1 Ru2'
_cell_volume   85.99
_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  0.0  1.0
  Ta  Ta3  1  0.47  0.0  0.32  1.0
  Ru  Ru0  1  0.84  0.0  0.2  1.0
  Ru  Ru1  1  0.09  0.0  0.44  1.0

data_SrTaRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.36
_cell_length_c   6.74
_cell_angle_alpha   99.39
_cell_angle_beta   90.0
_cell_angle_gamma   111.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaRu2
_chemical_formula_sum   'Sr1 Ta1 Ru2'
_cell_volume   85.99
_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  0.0  1.0
  Ta  Ta1  1  0.0  0.53  0.68  1.0
  Ru  Ru2  1  0.0  0.16  0.8  1.0
  Ru  Ru3  1  0.0  0.91  0.56  1.0

Sr Ta Ru Ru