data_Ta2CdIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93
_cell_length_b   9.93
_cell_length_c   9.93
_cell_angle_alpha   16.73
_cell_angle_beta   16.73
_cell_angle_gamma   16.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdIr
_chemical_formula_sum   'Ta2 Cd1 Ir1'
_cell_volume   70.77
_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  0.0  0.0  0.19  1.0
  Ta  Ta3  1  0.0  0.0  0.17  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.68  1.0

data_Ta2CdIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   2.89
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   99.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2CdIr
_chemical_formula_sum   'Ta4 Cd2 Ir2'
_cell_volume   141.53
_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  2  -0.0  0.0  0.81  1.0
  Ta  Ta1  2  -0.0  0.0  0.83  1.0
  Cd  Cd2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  -0.0  0.0  0.32  1.0

Ta Ta Cd Ir