data_Li2BeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   143.75
_cell_angle_beta   112.14
_cell_angle_gamma   79.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeBr
_chemical_formula_sum   'Li2 Be1 Br1'
_cell_volume   84.42
_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  0.68  0.0  0.28  1.0
  Li  Li3  1  0.0  0.02  0.88  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.0  0.0  0.16  1.0

data_Li2BeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   67.86
_cell_angle_beta   71.88
_cell_angle_gamma   71.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2BeBr
_chemical_formula_sum   'Li2 Be1 Br1'
_cell_volume   84.42
_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  0.32  0.28  1.0
  Li  Li1  1  0.02  -0.0  0.86  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.0  0.16  1.0

Li Li Be Br