data_TaRe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   144.79
_cell_angle_beta   130.29
_cell_angle_gamma   62.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRe2Ru
_chemical_formula_sum   'Ta1 Re2 Ru1'
_cell_volume   62.45
_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  0.48  1.0
  Re  Re0  1  0.58  0.0  0.34  1.0
  Re  Re1  1  0.0  0.2  0.14  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_TaRe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.4
_cell_length_c   5.24
_cell_angle_alpha   114.86
_cell_angle_beta   107.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRe2Ru
_chemical_formula_sum   'Ta1 Re2 Ru1'
_cell_volume   62.45
_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  0.48  0.48  1.0
  Re  Re1  1  0.0  0.34  0.76  1.0
  Re  Re2  1  0.8  0.94  0.94  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Ta Re Re Ru
Ta Re Re Ru 0 1 - o o 2 3 o o o 