data_HfAu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   6.41
_cell_angle_alpha   101.63
_cell_angle_beta   101.63
_cell_angle_gamma   43.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAu2Se
_chemical_formula_sum   'Hf1 Au2 Se1'
_cell_volume   99.08
_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  Hf2  1  0.44  0.0  0.54  1.0
  Au  Au0  1  0.31  0.0  0.78  1.0
  Au  Au1  1  0.88  0.0  0.57  1.0
  Se  Se3  1  0.25  0.0  0.75  1.0

data_HfAu2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.81
_cell_length_c   6.41
_cell_angle_alpha   101.63
_cell_angle_beta   90.0
_cell_angle_gamma   111.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAu2Se
_chemical_formula_sum   'Hf1 Au2 Se1'
_cell_volume   99.08
_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  0.56  0.46  1.0
  Au  Au1  1  0.0  0.12  0.43  1.0
  Au  Au2  1  0.0  0.69  0.22  1.0
  Se  Se3  1  0.0  0.75  0.25  1.0

Hf Au Au Se