data_LiBe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   7.03
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2Cl
_chemical_formula_sum   'Li1 Be2 Cl1'
_cell_volume   69.21
_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  0.0  1.0
  Be  Be0  1  0.26  0.52  0.4  1.0
  Be  Be1  1  0.77  0.52  0.81  1.0
  Cl  Cl2  1  0.52  0.0  0.6  1.0

data_LiBe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.21
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBe2Cl
_chemical_formula_sum   'Li1 Be2 Cl1'
_cell_volume   69.21
_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  0.0  0.0  0.0  1.0
  Be  Be1  1  0.23  0.19  0.48  1.0
  Be  Be2  1  0.74  0.6  0.48  1.0
  Cl  Cl3  1  0.48  0.4  0.0  1.0

Li Be Be Cl