data_LiReBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48
_cell_length_b   7.27
_cell_length_c   3.01
_cell_angle_alpha   82.24
_cell_angle_beta   74.28
_cell_angle_gamma   23.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReBi
_chemical_formula_sum   'Li1 Re1 Bi1'
_cell_volume   60.0
_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  0.72  0.47  0.65  1.0
  Re  Re2  1  0.72  0.47  0.63  1.0
  Bi  Bi0  1  0.72  0.47  0.97  1.0

data_LiReBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.44
_cell_length_b   14.13
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   124.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiReBi
_chemical_formula_sum   'Li2 Re2 Bi2'
_cell_volume   120.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.22  0.5  0.37  1.0
  Re  Re1  2  0.22  0.5  0.35  1.0
  Bi  Bi2  2  0.22  0.5  0.69  1.0

Li Re Bi
Li Re Bi 0 1 o o o 0 2 o o o 1 2 o o o 