data_HfBe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   38.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Au
_chemical_formula_sum   'Hf1 Be2 Au1'
_cell_volume   55.36
_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  Hf3  1  0.0  0.0  0.81  1.0
  Be  Be1  1  0.0  0.0  0.4  1.0
  Be  Be2  1  0.88  0.0  0.51  1.0
  Au  Au0  1  0.88  0.0  0.09  1.0

data_HfBe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.76
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   109.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Au
_chemical_formula_sum   'Hf1 Be2 Au1'
_cell_volume   55.36
_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  0.19  0.0  0.19  1.0
  Be  Be1  1  0.49  0.88  0.49  1.0
  Be  Be2  1  0.6  0.0  0.6  1.0
  Au  Au3  1  0.91  0.88  0.91  1.0

Hf Be Be Au