data_Hf2CdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.48
_cell_angle_alpha   112.78
_cell_angle_beta   112.78
_cell_angle_gamma   38.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdSe
_chemical_formula_sum   'Hf2 Cd1 Se1'
_cell_volume   85.15
_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  Hf1  1  0.64  0.0  0.1  1.0
  Hf  Hf2  1  0.97  0.0  0.9  1.0
  Cd  Cd0  1  0.8  0.0  0.5  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Hf2CdSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.22
_cell_length_c   5.48
_cell_angle_alpha   112.78
_cell_angle_beta   90.0
_cell_angle_gamma   109.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdSe
_chemical_formula_sum   'Hf2 Cd1 Se1'
_cell_volume   85.15
_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  0.03  0.1  1.0
  Hf  Hf1  1  0.0  0.36  0.9  1.0
  Cd  Cd2  1  0.0  0.2  0.5  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Hf Hf Cd Se