data_HfBe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe3
_chemical_formula_sum   'Hf4 Be12'
_cell_volume   195.77
_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  Hf12  1  0.0  0.0  0.0  1.0
  Hf  Hf13  1  0.0  0.0  0.09  1.0
  Hf  Hf14  1  0.0  0.04  0.04  1.0
  Hf  Hf15  1  0.63  0.52  0.13  1.0
  Be  Be0  1  0.63  0.0  0.0  1.0
  Be  Be1  1  0.63  0.0  0.09  1.0
  Be  Be2  1  0.68  0.28  0.0  1.0
  Be  Be3  1  0.32  0.28  0.0  1.0
  Be  Be4  1  0.32  0.28  0.09  1.0
  Be  Be5  1  0.68  0.28  0.09  1.0
  Be  Be6  1  0.63  0.84  0.04  1.0
  Be  Be7  1  0.0  0.72  0.13  1.0
  Be  Be8  1  0.49  0.86  0.04  1.0
  Be  Be9  1  0.77  0.86  0.04  1.0
  Be  Be10  1  0.86  0.7  0.13  1.0
  Be  Be11  1  0.14  0.7  0.13  1.0

data_HfBe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   8.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe3
_chemical_formula_sum   'Hf4 Be12'
_cell_volume   195.77
_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  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.0  0.09  1.0
  Hf  Hf2  1  0.0  0.04  0.04  1.0
  Hf  Hf3  1  0.63  0.52  0.13  1.0
  Be  Be4  1  0.0  0.72  0.13  1.0
  Be  Be5  1  0.14  0.7  0.13  1.0
  Be  Be6  1  0.32  0.28  -0.0  1.0
  Be  Be7  1  0.32  0.28  0.09  1.0
  Be  Be8  1  0.49  0.86  0.04  1.0
  Be  Be9  1  0.63  0.0  -0.0  1.0
  Be  Be10  1  0.63  0.0  0.09  1.0
  Be  Be11  1  0.63  0.84  0.04  1.0
  Be  Be12  1  0.68  0.28  0.0  1.0
  Be  Be13  1  0.68  0.28  0.09  1.0
  Be  Be14  1  0.77  0.86  0.04  1.0
  Be  Be15  1  0.86  0.7  0.13  1.0

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