data_Li2BeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   2.55
_cell_angle_alpha   94.9
_cell_angle_beta   94.9
_cell_angle_gamma   119.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeSi
_chemical_formula_sum   'Li2 Be1 Si1'
_cell_volume   49.78
_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  Li1  1  0.99  0.05  0.25  1.0
  Li  Li2  1  0.99  0.95  0.25  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.41  0.0  0.0  1.0

data_Li2BeSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   119.14
_cell_angle_beta   94.9
_cell_angle_gamma   94.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeSi
_chemical_formula_sum   'Li2 Be1 Si1'
_cell_volume   49.78
_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  0.25  0.99  0.05  1.0
  Li  Li1  1  0.25  0.99  0.95  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.0  0.41  0.0  1.0

Li Li Be Si
Li Li Be Si 0 1 o - o 0 2 + o o 0 3 + o o 1 2 + + o 1 3 + + o 2 3 o o o 