data_HfZnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   35.66
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnSe2
_chemical_formula_sum   'Hf1 Zn1 Se2'
_cell_volume   79.96
_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  0.9  0.0  0.65  1.0
  Zn  Zn3  1  0.0  0.0  0.56  1.0
  Se  Se1  1  0.0  0.0  0.43  1.0
  Se  Se2  1  0.9  0.0  0.36  1.0

data_HfZnSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.81
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   107.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnSe2
_chemical_formula_sum   'Hf1 Zn1 Se2'
_cell_volume   79.96
_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  0.35  0.9  0.35  1.0
  Zn  Zn1  1  0.44  0.0  0.44  1.0
  Se  Se2  1  0.57  0.0  0.57  1.0
  Se  Se3  1  0.64  0.9  0.64  1.0

Hf Zn Se Se