data_LiRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.94
_cell_angle_alpha   94.32
_cell_angle_beta   94.32
_cell_angle_gamma   34.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe3
_chemical_formula_sum   'Li1 Re3'
_cell_volume   57.88
_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  0.18  0.0  0.46  1.0
  Re  Re2  1  0.85  0.0  0.73  1.0
  Re  Re3  1  0.5  0.0  0.19  1.0

data_LiRe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.57
_cell_length_c   4.94
_cell_angle_alpha   94.32
_cell_angle_beta   90.0
_cell_angle_gamma   107.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRe3
_chemical_formula_sum   'Li1 Re3'
_cell_volume   57.88
_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  0.15  0.27  1.0
  Re  Re2  1  0.0  0.5  0.81  1.0
  Re  Re3  1  0.0  0.82  0.54  1.0

Li Re Re Re