data_HfCd2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   8.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Rh
_chemical_formula_sum   'Hf1 Cd2 Rh1'
_cell_volume   75.22
_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
  Hf  Hf2  1  0.0  0.0  0.08  1.0
  Cd  Cd0  1  0.12  0.0  0.79  1.0
  Cd  Cd1  1  0.12  0.0  0.37  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_HfCd2Rh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   8.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfCd2Rh
_chemical_formula_sum   'Hf1 Cd2 Rh1'
_cell_volume   75.24
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Hf  Hf0  1  0.0  0.0  0.08  1.0
  Cd  Cd1  1  0.12  0.0  0.37  1.0
  Cd  Cd2  1  0.12  0.0  0.79  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

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