data_LiReBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.42
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   93.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReBi2
_chemical_formula_sum   'Li1 Re1 Bi2'
_cell_volume   87.46
_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  0.0  1.0
  Re  Re3  1  0.77  0.0  0.76  1.0
  Bi  Bi0  1  0.41  0.71  0.46  1.0
  Bi  Bi1  1  0.53  0.71  0.06  1.0

data_LiReBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.42
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   93.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReBi2
_chemical_formula_sum   'Li1 Re1 Bi2'
_cell_volume   87.46
_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  0.0  0.0  1.0
  Re  Re1  1  0.77  0.0  0.76  1.0
  Bi  Bi2  1  0.41  0.71  0.46  1.0
  Bi  Bi3  1  0.53  0.71  0.06  1.0

Li Re Bi Bi