data_LiRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe
_chemical_formula_sum   'Li4 Re4'
_cell_volume   142.15
_cell_formula_units_Z   4
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  0.09  0.21  0.62  1.0
  Li  Li1  1  0.0  0.41  0.33  1.0
  Li  Li2  1  0.0  0.41  0.8  1.0
  Li  Li3  1  0.09  0.21  0.09  1.0
  Re  Re4  1  0.0  0.0  0.35  1.0
  Re  Re5  1  0.0  0.0  0.06  1.0
  Re  Re6  1  0.09  0.21  0.06  1.0
  Re  Re7  1  0.0  0.41  0.35  1.0

data_LiRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe
_chemical_formula_sum   'Li4 Re4'
_cell_volume   142.15
_cell_formula_units_Z   4
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  0.41  0.33  1.0
  Li  Li1  1  0.0  0.41  0.8  1.0
  Li  Li2  1  0.09  0.21  0.09  1.0
  Li  Li3  1  0.09  0.21  0.62  1.0
  Re  Re4  1  0.0  0.0  0.06  1.0
  Re  Re5  1  0.0  0.0  0.35  1.0
  Re  Re6  1  0.0  0.41  0.35  1.0
  Re  Re7  1  0.09  0.21  0.06  1.0

Li Li Li Li Re Re Re Re
Li Li Li Li Re Re Re Re 0 2 o o o 1 7 o o o 1 4 o o o 3 6 o o o 3 5 o o o 4 7 o o o 5 6 o o o 