data_Ta2RuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   2.97
_cell_angle_alpha   91.14
_cell_angle_beta   91.14
_cell_angle_gamma   102.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2RuRh
_chemical_formula_sum   'Ta2 Ru1 Rh1'
_cell_volume   64.42
_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  Ta2  1  0.43  0.84  0.49  1.0
  Ta  Ta3  1  0.43  0.16  0.49  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.95  0.0  0.0  1.0

data_Ta2RuRh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.71
_cell_length_b   2.97
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   102.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ta2RuRh
_chemical_formula_sum   'Ta2 Ru1 Rh1'
_cell_volume   64.45
_cell_formula_units_Z   1
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  1  0.43  0.5  0.16  1.0
  Ta  Ta1  1  0.43  0.5  0.84  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.95  0.0  0.0  1.0

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