data_LiReMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.24
_cell_length_c   2.64
_cell_angle_alpha   83.28
_cell_angle_beta   75.97
_cell_angle_gamma   20.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiReMo
_chemical_formula_sum   'Li1 Re1 Mo1'
_cell_volume   46.25
_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  0.5  0.18  0.13  1.0
  Re  Re2  1  0.5  0.18  0.71  1.0
  Mo  Mo1  1  0.5  0.18  0.51  1.0

data_LiReMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.99
_cell_length_b   14.17
_cell_length_c   2.64
_cell_angle_alpha   90.0
_cell_angle_beta   124.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiReMo
_chemical_formula_sum   'Li2 Re2 Mo2'
_cell_volume   92.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.13  0.0  0.63  1.0
  Re  Re1  2  0.21  0.5  0.2  1.0
  Mo  Mo2  2  0.01  0.5  0.01  1.0

Li Re Mo