data_HfCrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   5.83
_cell_angle_alpha   102.49
_cell_angle_beta   102.49
_cell_angle_gamma   48.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrSe2
_chemical_formula_sum   'Hf1 Cr1 Se2'
_cell_volume   69.57
_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  0.99  0.0  0.83  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.17  0.0  0.23  1.0
  Se  Se3  1  0.81  0.0  0.44  1.0

data_HfCrSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.05
_cell_length_c   5.83
_cell_angle_alpha   102.49
_cell_angle_beta   90.0
_cell_angle_gamma   114.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrSe2
_chemical_formula_sum   'Hf1 Cr1 Se2'
_cell_volume   69.57
_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  0.01  0.17  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.19  0.56  1.0
  Se  Se3  1  0.0  0.83  0.77  1.0

Hf Cr Se Se