data_TaRuRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.71
_cell_angle_alpha   100.33
_cell_angle_beta   100.33
_cell_angle_gamma   34.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRuRh2
_chemical_formula_sum   'Ta1 Ru1 Rh2'
_cell_volume   60.27
_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  0.14  0.0  0.31  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.63  0.0  0.5  1.0
  Rh  Rh1  1  0.65  0.0  0.12  1.0

data_TaRuRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.71
_cell_length_c   4.8
_cell_angle_alpha   100.33
_cell_angle_beta   107.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRuRh2
_chemical_formula_sum   'Ta1 Ru1 Rh2'
_cell_volume   60.27
_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  0.31  0.14  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.12  0.65  1.0
  Rh  Rh3  1  0.0  0.5  0.63  1.0

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