data_TaCd2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.77
_cell_length_b   9.77
_cell_length_c   9.77
_cell_angle_alpha   17.38
_cell_angle_beta   17.38
_cell_angle_gamma   17.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd2Rh
_chemical_formula_sum   'Ta1 Cd2 Rh1'
_cell_volume   72.72
_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  0.0  0.0  0.44  1.0
  Cd  Cd0  1  0.0  0.0  0.5  1.0
  Cd  Cd1  1  0.0  0.0  0.37  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0

data_TaCd2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   2.95
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   100.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCd2Rh
_chemical_formula_sum   'Ta2 Cd4 Rh2'
_cell_volume   145.45
_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  0.56  1.0
  Cd  Cd1  2  0.0  0.0  0.5  1.0
  Cd  Cd2  2  0.0  0.0  0.63  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

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