data_Hf3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Se4
_chemical_formula_sum   'Hf3 Se4'
_cell_volume   147.97
_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  0.49  0.58  0.41  1.0
  Hf  Hf1  1  0.98  0.0  0.41  1.0
  Hf  Hf2  1  0.51  0.58  0.41  1.0
  Se  Se3  1  0.0  0.0  0.62  1.0
  Se  Se4  1  0.0  0.0  0.19  1.0
  Se  Se5  1  0.0  0.44  0.0  1.0
  Se  Se6  1  0.98  0.72  0.0  1.0

data_Hf3Se4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Se4
_chemical_formula_sum   'Hf3 Se4'
_cell_volume   147.97
_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  0.41  0.49  0.58  1.0
  Hf  Hf1  1  0.41  0.51  0.58  1.0
  Hf  Hf2  1  0.41  0.98  0.0  1.0
  Se  Se3  1  0.0  0.0  0.44  1.0
  Se  Se4  1  0.0  0.98  0.72  1.0
  Se  Se5  1  0.19  0.0  0.0  1.0
  Se  Se6  1  0.62  0.0  0.0  1.0

Hf Hf Hf Se Se Se Se