data_HfBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2
_chemical_formula_sum   'Hf4 Be8'
_cell_volume   153.19
_cell_formula_units_Z   4
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  Hf8  1  0.0  0.78  0.49  1.0
  Hf  Hf9  1  0.4  0.39  0.32  1.0
  Hf  Hf10  1  0.4  0.39  0.16  1.0
  Hf  Hf11  1  0.0  0.78  0.33  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.0  0.0  0.82  1.0
  Be  Be2  1  0.4  0.74  0.91  1.0
  Be  Be3  1  0.0  0.43  0.74  1.0
  Be  Be4  1  0.23  0.71  0.91  1.0
  Be  Be5  1  0.57  0.71  0.91  1.0
  Be  Be6  1  0.83  0.45  0.74  1.0
  Be  Be7  1  0.17  0.45  0.74  1.0

data_HfBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2
_chemical_formula_sum   'Hf4 Be8'
_cell_volume   153.19
_cell_formula_units_Z   4
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  0.78  0.33  1.0
  Hf  Hf1  1  0.0  0.78  0.49  1.0
  Hf  Hf2  1  0.4  0.39  0.16  1.0
  Hf  Hf3  1  0.4  0.39  0.32  1.0
  Be  Be4  1  0.0  0.0  0.0  1.0
  Be  Be5  1  0.0  0.0  0.82  1.0
  Be  Be6  1  0.0  0.43  0.74  1.0
  Be  Be7  1  0.17  0.45  0.74  1.0
  Be  Be8  1  0.23  0.71  0.91  1.0
  Be  Be9  1  0.4  0.74  0.91  1.0
  Be  Be10  1  0.57  0.71  0.91  1.0
  Be  Be11  1  0.83  0.45  0.74  1.0

Hf Hf Hf Hf Be Be Be Be Be Be Be Be