data_LiLa2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   8.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Re
_chemical_formula_sum   'Li1 La2 Re1'
_cell_volume   109.91
_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  Li2  1  0.0  0.0  0.0  1.0
  La  La0  1  0.71  0.78  0.05  1.0
  La  La1  1  0.77  0.78  0.58  1.0
  Re  Re3  1  0.95  0.0  0.32  1.0

data_LiLa2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   8.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLa2Re
_chemical_formula_sum   'Li1 La2 Re1'
_cell_volume   109.91
_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
  La  La1  1  0.71  0.78  0.05  1.0
  La  La2  1  0.77  0.78  0.58  1.0
  Re  Re3  1  0.95  0.0  0.32  1.0

Li La La Re
Li La La Re 0 1 - - o 0 3 - o o 1 3 o + o 2 3 o + o 