data_Li2HfBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   121.11
_cell_angle_beta   119.95
_cell_angle_gamma   89.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfBe
_chemical_formula_sum   'Li2 Hf1 Be1'
_cell_volume   58.88
_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
  Li  Li2  1  0.0  0.0  0.22  1.0
  Li  Li3  1  0.0  0.19  0.56  1.0
  Hf  Hf1  1  0.15  0.0  0.56  1.0
  Be  Be0  1  0.0  0.0  0.14  1.0

data_Li2HfBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   60.05
_cell_angle_beta   60.55
_cell_angle_gamma   60.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfBe
_chemical_formula_sum   'Li2 Hf1 Be1'
_cell_volume   58.88
_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
  Li  Li0  1  0.22  0.0  0.78  1.0
  Li  Li1  1  0.56  0.0  0.63  1.0
  Hf  Hf2  1  0.41  0.15  0.44  1.0
  Be  Be3  1  0.14  0.0  0.86  1.0

Li Li Hf Be