data_Li2Be3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.53
_cell_length_b   10.53
_cell_length_c   10.53
_cell_angle_alpha   12.87
_cell_angle_beta   12.87
_cell_angle_gamma   12.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Be3
_chemical_formula_sum   'Li2 Be3'
_cell_volume   50.43
_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  Li3  1  0.0  0.0  0.73  1.0
  Li  Li4  1  0.0  0.0  0.59  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.0  0.0  0.12  1.0
  Be  Be2  1  0.0  0.0  0.2  1.0

data_Li2Be3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.09
_cell_length_b   2.36
_cell_length_c   10.53
_cell_angle_alpha   90.0
_cell_angle_beta   97.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2Be3
_chemical_formula_sum   'Li4 Be6'
_cell_volume   100.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.27  1.0
  Li  Li1  2  0.0  0.0  0.41  1.0
  Be  Be2  2  -0.0  0.0  0.8  1.0
  Be  Be3  2  -0.0  0.0  0.88  1.0
  Be  Be4  2  0.0  0.0  0.0  1.0

Li Li Be Be Be