data_HfCd2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   131.97
_cell_angle_beta   131.97
_cell_angle_gamma   70.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Br
_chemical_formula_sum   'Hf1 Cd2 Br1'
_cell_volume   89.83
_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  0.24  0.25  1.0
  Cd  Cd1  1  0.24  0.0  0.25  1.0
  Cd  Cd2  1  0.0  0.0  0.49  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_HfCd2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   5.49
_cell_angle_alpha   114.02
_cell_angle_beta   114.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCd2Br
_chemical_formula_sum   'Hf1 Cd2 Br1'
_cell_volume   89.83
_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  0.99  0.24  0.99  1.0
  Cd  Cd1  1  0.51  0.0  0.51  1.0
  Cd  Cd2  1  0.75  0.0  0.99  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Hf Cd Cd Br