data_LiReBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.5
_cell_length_b   7.5
_cell_length_c   7.5
_cell_angle_alpha   154.74
_cell_angle_beta   153.61
_cell_angle_gamma   36.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReBr2
_chemical_formula_sum   'Li1 Re1 Br2'
_cell_volume   79.76
_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  0.0  0.0  0.43  1.0
  Re  Re3  1  0.0  0.71  0.86  1.0
  Br  Br0  1  0.0  0.0  0.01  1.0
  Br  Br1  1  0.64  0.0  0.92  1.0

data_LiReBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   3.42
_cell_length_c   7.5
_cell_angle_alpha   103.19
_cell_angle_beta   102.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReBr2
_chemical_formula_sum   'Li1 Re1 Br2'
_cell_volume   79.76
_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  0.57  0.57  0.57  1.0
  Re  Re1  1  0.14  0.85  0.85  1.0
  Br  Br2  1  0.72  0.08  0.72  1.0
  Br  Br3  1  0.99  0.99  0.99  1.0

Li Re Br Br