data_LiMgRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   7.26
_cell_length_c   2.68
_cell_angle_alpha   82.41
_cell_angle_beta   76.55
_cell_angle_gamma   21.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMgRe
_chemical_formula_sum   'Li1 Mg1 Re1'
_cell_volume   48.77
_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  0.6  0.15  0.03  1.0
  Mg  Mg1  1  0.6  0.15  0.55  1.0
  Re  Re2  1  0.6  0.15  0.75  1.0

data_LiMgRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.21
_cell_length_b   14.16
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   126.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiMgRe
_chemical_formula_sum   'Li2 Mg2 Re2'
_cell_volume   97.53
_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  0.03  0.0  0.63  1.0
  Mg  Mg1  2  0.05  0.5  0.15  1.0
  Re  Re2  2  0.25  0.5  0.35  1.0

Li Mg Re