data_TaCdIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.1
_cell_angle_alpha   100.32
_cell_angle_beta   100.32
_cell_angle_gamma   34.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdIr2
_chemical_formula_sum   'Ta1 Cd1 Ir2'
_cell_volume   66.64
_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  0.13  0.0  0.5  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.53  0.0  0.67  1.0
  Ir  Ir2  1  0.73  0.0  0.34  1.0

data_TaCdIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.83
_cell_length_c   5.1
_cell_angle_alpha   100.32
_cell_angle_beta   90.0
_cell_angle_gamma   107.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdIr2
_chemical_formula_sum   'Ta1 Cd1 Ir2'
_cell_volume   66.64
_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  0.87  0.5  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.27  0.66  1.0
  Ir  Ir3  1  0.0  0.47  0.33  1.0

Ta Cd Ir Ir