data_Hf2CdB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdB
_chemical_formula_sum   'Hf2 Cd1 B1'
_cell_volume   69.77
_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  0.5  0.1  0.53  1.0
  Hf  Hf3  1  0.5  0.9  0.53  1.0
  Cd  Cd1  1  1.0  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Hf2CdB
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.85
_cell_length_b   3.05
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   103.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   Hf2CdB
_chemical_formula_sum   'Hf2 Cd1 B1'
_cell_volume   69.77
_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  2  0.0  0.47  0.1  1.0
  Cd  Cd1  1  0.5  -0.0  0.0  1.0
  B  B2  1  0.5  0.0  0.0  1.0
