data_Cs2LiBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.5
_cell_length_b   12.5
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   159.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2LiBr3
_chemical_formula_sum   'Cs4 Li2 Br6'
_cell_volume   448.25
_cell_formula_units_Z   2
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
  Cs  Cs6  1  0.24  0.13  0.03  1.0
  Cs  Cs7  1  0.24  0.37  0.09  1.0
  Cs  Cs8  1  0.24  0.63  0.03  1.0
  Cs  Cs9  1  0.24  0.87  0.09  1.0
  Li  Li10  1  0.24  0.39  0.03  1.0
  Li  Li11  1  0.24  0.61  0.09  1.0
  Br  Br0  1  0.24  0.86  0.08  1.0
  Br  Br1  1  0.24  0.86  0.11  1.0
  Br  Br2  1  0.24  0.04  0.03  1.0
  Br  Br3  1  0.24  0.96  0.09  1.0
  Br  Br4  1  0.24  0.14  0.02  1.0
  Br  Br5  1  0.24  0.14  0.04  1.0

data_Cs2LiBr3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.49
_cell_length_b   8.12
_cell_length_c   12.5
_cell_angle_alpha   90.0
_cell_angle_beta   100.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Cs2LiBr3
_chemical_formula_sum   'Cs4 Li2 Br6'
_cell_volume   448.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Cs  Cs0  2  0.13  0.53  0.63  1.0
  Cs  Cs1  2  0.37  0.47  0.87  1.0
  Li  Li2  2  0.39  0.53  0.89  1.0
  Br  Br3  2  0.04  0.53  0.54  1.0
  Br  Br4  2  0.14  0.52  0.64  1.0
  Br  Br5  2  0.14  0.54  0.64  1.0

Cs Cs Cs Cs Li Li Br Br Br Br Br Br