data_Hf2ReSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   139.18
_cell_angle_beta   120.93
_cell_angle_gamma   74.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ReSe
_chemical_formula_sum   'Hf2 Re1 Se1'
_cell_volume   75.3
_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  0.54  0.08  1.0
  Hf  Hf1  1  0.8  0.0  0.03  1.0
  Re  Re2  1  0.0  0.0  0.11  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Hf2ReSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.09
_cell_length_c   5.16
_cell_angle_alpha   119.54
_cell_angle_beta   110.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ReSe
_chemical_formula_sum   'Hf2 Re1 Se1'
_cell_volume   75.3
_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  0.77  0.97  0.77  1.0
  Hf  Hf1  1  0.92  0.46  0.46  1.0
  Re  Re2  1  0.89  0.89  0.89  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Hf Hf Re Se