data_HfCrCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrCd2
_chemical_formula_sum   'Hf1 Cr1 Cd2'
_cell_volume   76.18
_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  Hf3  1  0.76  0.0  0.59  1.0
  Cr  Cr2  1  0.0  0.0  0.5  1.0
  Cd  Cd0  1  0.0  0.0  0.03  1.0
  Cd  Cd1  1  0.76  0.0  0.66  1.0

data_HfCrCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrCd2
_chemical_formula_sum   'Hf1 Cr1 Cd2'
_cell_volume   76.18
_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  Hf0  1  0.76  0.0  0.59  1.0
  Cr  Cr1  1  0.0  0.0  0.5  1.0
  Cd  Cd2  1  0.0  0.0  0.03  1.0
  Cd  Cd3  1  0.76  0.0  0.66  1.0

Hf Cr Cd Cd
Hf Cr Cd Cd 0 3 o o o 0 1 + o o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 - o - 