data_Li2CuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   3.63
_cell_angle_alpha   90.68
_cell_angle_beta   90.68
_cell_angle_gamma   32.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuBr
_chemical_formula_sum   'Li2 Cu1 Br1'
_cell_volume   78.45
_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  0.5  0.0  0.17  1.0
  Li  Li3  1  0.47  0.0  0.37  1.0
  Cu  Cu1  1  0.2  0.0  0.2  1.0
  Br  Br0  1  0.87  0.0  0.34  1.0

data_Li2CuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.63
_cell_length_c   6.31
_cell_angle_alpha   90.68
_cell_angle_beta   106.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuBr
_chemical_formula_sum   'Li2 Cu1 Br1'
_cell_volume   78.45
_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  0.17  0.5  1.0
  Li  Li1  1  0.0  0.37  0.47  1.0
  Cu  Cu2  1  0.0  0.2  0.2  1.0
  Br  Br3  1  0.0  0.34  0.87  1.0

Li Li Cu Br