data_HfCd2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   7.36
_cell_angle_alpha   153.5
_cell_angle_beta   153.43
_cell_angle_gamma   37.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2B
_chemical_formula_sum   'Hf1 Cd2 B1'
_cell_volume   79.52
_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  0.0  0.0  0.96  1.0
  Cd  Cd1  1  0.69  0.0  0.5  1.0
  Cd  Cd2  1  0.0  0.69  0.47  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_HfCd2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.38
_cell_length_c   7.36
_cell_angle_alpha   103.28
_cell_angle_beta   103.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2B
_chemical_formula_sum   'Hf1 Cd2 B1'
_cell_volume   79.52
_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  0.0  0.96  0.96  1.0
  Cd  Cd1  1  0.0  0.5  0.81  1.0
  Cd  Cd2  1  0.31  0.78  0.78  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Hf Cd Cd B