data_Hf2PdSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   4.45
_cell_angle_alpha   92.19
_cell_angle_beta   92.19
_cell_angle_gamma   36.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PdSe
_chemical_formula_sum   'Hf2 Pd1 Se1'
_cell_volume   75.53
_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  0.13  0.0  0.37  1.0
  Hf  Hf1  1  0.4  0.0  0.98  1.0
  Pd  Pd2  1  0.7  0.0  0.6  1.0
  Se  Se3  1  0.82  0.0  0.72  1.0

data_Hf2PdSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.45
_cell_length_c   5.37
_cell_angle_alpha   92.19
_cell_angle_beta   108.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PdSe
_chemical_formula_sum   'Hf2 Pd1 Se1'
_cell_volume   75.53
_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  0.37  0.13  1.0
  Hf  Hf1  1  0.0  0.98  0.4  1.0
  Pd  Pd2  1  0.0  0.6  0.7  1.0
  Se  Se3  1  0.0  0.72  0.82  1.0

Hf Hf Pd Se