data_Li2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61
_cell_length_b   7.61
_cell_length_c   2.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Be
_chemical_formula_sum   'Li6 Be3'
_cell_volume   115.99
_cell_formula_units_Z   3
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  Li3  1  0.44  0.0  0.16  1.0
  Li  Li4  1  0.78  0.11  0.16  1.0
  Li  Li5  1  0.59  0.48  0.16  1.0
  Li  Li6  1  0.98  0.0  0.0  1.0
  Li  Li7  1  0.51  0.31  0.0  1.0
  Li  Li8  1  0.32  0.28  0.0  1.0
  Be  Be0  1  0.0  0.39  0.16  1.0
  Be  Be1  1  0.81  0.2  0.16  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0

data_Li2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.31
_cell_length_b   7.61
_cell_length_c   7.61
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Be
_chemical_formula_sum   'Li6 Be3'
_cell_volume   115.99
_cell_formula_units_Z   3
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  -0.0  0.98  0.0  1.0
  Li  Li1  1  -0.0  0.32  0.28  1.0
  Li  Li2  1  0.0  0.51  0.31  1.0
  Li  Li3  1  0.16  0.44  0.0  1.0
  Li  Li4  1  0.16  0.59  0.48  1.0
  Li  Li5  1  0.16  0.78  0.11  1.0
  Be  Be6  1  0.0  0.0  0.0  1.0
  Be  Be7  1  0.16  0.0  0.39  1.0
  Be  Be8  1  0.16  0.81  0.2  1.0

Li Li Li Li Li Li Be Be Be