data_LiAlRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   2.64
_cell_angle_alpha   99.02
_cell_angle_beta   99.02
_cell_angle_gamma   117.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlRe2
_chemical_formula_sum   'Li1 Al1 Re2'
_cell_volume   57.24
_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  Li1  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.62  0.0  0.0  1.0
  Re  Re2  1  0.91  0.17  0.26  1.0
  Re  Re3  1  0.91  0.83  0.26  1.0

data_LiAlRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   117.72
_cell_angle_beta   99.02
_cell_angle_gamma   99.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlRe2
_chemical_formula_sum   'Li1 Al1 Re2'
_cell_volume   57.24
_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
  Al  Al1  1  0.0  0.62  0.0  1.0
  Re  Re2  1  0.26  0.91  0.17  1.0
  Re  Re3  1  0.26  0.91  0.83  1.0

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