data_TaReRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.84
_cell_angle_alpha   99.78
_cell_angle_beta   99.78
_cell_angle_gamma   33.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReRu2
_chemical_formula_sum   'Ta1 Re1 Ru2'
_cell_volume   61.33
_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
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.16  0.0  0.38  1.0
  Ru  Ru1  1  0.69  0.0  0.29  1.0
  Ru  Ru2  1  0.62  0.0  0.48  1.0

data_TaReRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.8
_cell_length_c   4.84
_cell_angle_alpha   99.78
_cell_angle_beta   90.0
_cell_angle_gamma   107.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReRu2
_chemical_formula_sum   'Ta1 Re1 Ru2'
_cell_volume   61.33
_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
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.84  0.62  1.0
  Ru  Ru2  1  0.0  0.31  0.71  1.0
  Ru  Ru3  1  0.0  0.38  0.52  1.0

Ta Re Ru Ru