data_Ta2CdRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.32
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdRh
_chemical_formula_sum   'Ta2 Cd1 Rh1'
_cell_volume   71.51
_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  0.66  0.66  0.43  1.0
  Ta  Ta3  1  0.66  0.66  0.06  1.0
  Cd  Cd0  1  0.0  0.0  0.25  1.0
  Rh  Rh1  1  0.0  0.0  0.0  1.0

data_Ta2CdRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2CdRh
_chemical_formula_sum   'Ta4 Cd2 Rh2'
_cell_volume   143.02
_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  0.16  0.5  0.06  1.0
  Ta  Ta1  2  0.16  0.5  0.43  1.0
  Cd  Cd2  2  0.0  0.0  0.25  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

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