data_Li2BeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.23
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   95.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeCl
_chemical_formula_sum   'Li2 Be1 Cl1'
_cell_volume   59.04
_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  0.01  0.62  0.36  1.0
  Li  Li3  1  0.62  0.62  0.35  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.72  0.0  0.86  1.0

data_Li2BeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.23
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   95.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeCl
_chemical_formula_sum   'Li2 Be1 Cl1'
_cell_volume   59.04
_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  0.01  0.62  0.36  1.0
  Li  Li1  1  0.62  0.62  0.35  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.72  0.0  0.86  1.0

Li Li Be Cl
Li Li Be Cl 0 1 - o o 2 3 - o - 