data_LiRe2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.62
_cell_angle_alpha   99.32
_cell_angle_beta   99.32
_cell_angle_gamma   36.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2Sn
_chemical_formula_sum   'Li1 Re2 Sn1'
_cell_volume   64.85
_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  0.84  0.0  0.98  1.0
  Re  Re2  1  0.71  0.0  0.57  1.0
  Sn  Sn3  1  0.28  0.0  0.27  1.0

data_LiRe2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.62
_cell_length_c   4.91
_cell_angle_alpha   99.32
_cell_angle_beta   108.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe2Sn
_chemical_formula_sum   'Li1 Re2 Sn1'
_cell_volume   64.85
_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  0.0  0.57  0.71  1.0
  Re  Re2  1  0.0  0.98  0.84  1.0
  Sn  Sn3  1  0.0  0.27  0.28  1.0

Li Re Re Sn
Li Re Re Sn 0 1 - o - 0 2 - o - 0 3 o o o 1 2 o o o 2 3 o o o 