data_Li2WBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   7.22
_cell_angle_alpha   155.72
_cell_angle_beta   154.44
_cell_angle_gamma   35.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2WBr
_chemical_formula_sum   'Li2 W1 Br1'
_cell_volume   66.57
_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  Li1  1  0.0  0.6  0.03  1.0
  Li  Li2  1  0.0  0.0  0.14  1.0
  W  W3  1  0.0  0.6  0.68  1.0
  Br  Br0  1  0.0  0.0  0.77  1.0

data_Li2WBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.19
_cell_length_c   7.22
_cell_angle_alpha   102.78
_cell_angle_beta   102.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2WBr
_chemical_formula_sum   'Li2 W1 Br1'
_cell_volume   66.57
_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  0.86  0.86  0.86  1.0
  Li  Li1  1  0.97  0.57  0.57  1.0
  W  W2  1  0.32  0.92  0.92  1.0
  Br  Br3  1  0.23  0.23  0.23  1.0

Li Li W Br