data_Ta2PdRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.96
_cell_angle_alpha   100.86
_cell_angle_beta   100.86
_cell_angle_gamma   34.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PdRh
_chemical_formula_sum   'Ta2 Pd1 Rh1'
_cell_volume   65.91
_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  0.98  0.0  0.17  1.0
  Ta  Ta3  1  0.63  0.0  0.49  1.0
  Pd  Pd0  1  0.14  0.0  0.54  1.0
  Rh  Rh1  1  0.73  0.0  0.1  1.0

data_Ta2PdRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.87
_cell_length_c   4.96
_cell_angle_alpha   100.86
_cell_angle_beta   90.0
_cell_angle_gamma   107.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PdRh
_chemical_formula_sum   'Ta2 Pd1 Rh1'
_cell_volume   65.91
_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  0.02  0.83  1.0
  Ta  Ta1  1  0.0  0.37  0.51  1.0
  Pd  Pd2  1  0.0  0.86  0.46  1.0
  Rh  Rh3  1  0.0  0.27  0.9  1.0

Ta Ta Pd Rh
Ta Ta Pd Rh 0 3 o o o 0 1 o o o 0 2 + o o 1 2 o o o 1 2 + o o 1 3 o o o 