data_HfBiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   6.36
_cell_angle_alpha   98.21
_cell_angle_beta   98.21
_cell_angle_gamma   44.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBiSe2
_chemical_formula_sum   'Hf1 Bi1 Se2'
_cell_volume   101.41
_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  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.97  0.0  0.14  1.0
  Se  Se2  1  0.09  0.0  0.19  1.0
  Se  Se3  1  0.85  0.0  0.1  1.0

data_HfBiSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.81
_cell_length_c   6.36
_cell_angle_alpha   98.21
_cell_angle_beta   90.0
_cell_angle_gamma   112.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBiSe2
_chemical_formula_sum   'Hf1 Bi1 Se2'
_cell_volume   101.41
_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  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.03  0.86  1.0
  Se  Se2  1  0.0  0.15  0.9  1.0
  Se  Se3  1  0.0  0.91  0.81  1.0

Hf Bi Se Se