data_Hf2InSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   144.92
_cell_angle_beta   120.64
_cell_angle_gamma   70.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InSe
_chemical_formula_sum   'Hf2 In1 Se1'
_cell_volume   86.93
_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  0.7  0.0  0.05  1.0
  Hf  Hf1  1  0.0  0.79  0.54  1.0
  In  In2  1  0.0  0.0  0.59  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Hf2InSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.58
_cell_length_c   5.63
_cell_angle_alpha   119.68
_cell_angle_beta   107.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2InSe
_chemical_formula_sum   'Hf2 In1 Se1'
_cell_volume   86.93
_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  0.05  0.35  1.0
  Hf  Hf1  1  0.21  0.75  0.75  1.0
  In  In2  1  0.0  0.59  0.59  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Hf Hf In Se