data_LiBe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2Cl
_chemical_formula_sum   'Li1 Be2 Cl1'
_cell_volume   58.89
_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  0.96  1.0
  Be  Be0  1  0.48  0.0  0.24  1.0
  Be  Be1  1  0.0  0.0  0.57  1.0
  Cl  Cl2  1  0.48  0.0  0.88  1.0

data_LiBe2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.05
_cell_length_b   5.18
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiBe2Cl
_chemical_formula_sum   'Li2 Be4 Cl2'
_cell_volume   117.85
_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  0.04  1.0
  Be  Be1  2  0.0  0.0  0.43  1.0
  Be  Be2  2  0.02  0.5  0.76  1.0
  Cl  Cl3  2  0.02  0.5  0.12  1.0

Li Be Be Cl