data_Ta2IrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   129.88
_cell_angle_beta   129.88
_cell_angle_gamma   73.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2IrRh
_chemical_formula_sum   'Ta2 Ir1 Rh1'
_cell_volume   64.31
_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  0.04  0.0  0.93  1.0
  Ta  Ta3  1  0.0  0.04  0.93  1.0
  Ir  Ir0  1  0.0  0.0  0.86  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_Ta2IrRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   126.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2IrRh
_chemical_formula_sum   'Ta4 Ir2 Rh2'
_cell_volume   128.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.09  0.02  0.11  1.0
  Ir  Ir1  2  0.14  0.0  0.14  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0

Ta Ta Ir Rh