data_LiReSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   139.86
_cell_angle_beta   139.86
_cell_angle_gamma   58.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReSb
_chemical_formula_sum   'Li1 Re1 Sb1'
_cell_volume   48.16
_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  0.03  1.0
  Re  Re1  1  0.0  0.0  0.69  1.0
  Sb  Sb2  1  0.0  0.0  0.83  1.0

data_LiReSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   119.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiReSb
_chemical_formula_sum   'Li2 Re2 Sb2'
_cell_volume   96.31
_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  0.03  0.0  0.03  1.0
  Re  Re1  2  0.19  0.5  0.69  1.0
  Sb  Sb2  2  0.33  0.5  0.83  1.0

Li Re Sb
Li Re Sb 0 2 o o - 1 2 o o o 