data_LiHfMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42
_cell_length_b   8.19
_cell_length_c   2.96
_cell_angle_alpha   84.08
_cell_angle_beta   75.49
_cell_angle_gamma   20.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfMg
_chemical_formula_sum   'Li1 Hf1 Mg1'
_cell_volume   63.47
_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  0.58  0.5  0.75  1.0
  Hf  Hf0  1  0.58  0.5  0.01  1.0
  Mg  Mg2  1  0.58  0.5  0.32  1.0

data_LiHfMg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.16
_cell_length_b   16.08
_cell_length_c   2.96
_cell_angle_alpha   90.0
_cell_angle_beta   122.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHfMg
_chemical_formula_sum   'Li2 Hf2 Mg2'
_cell_volume   126.94
_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  0.25  0.5  0.33  1.0
  Hf  Hf1  2  0.01  0.0  0.59  1.0
  Mg  Mg2  2  0.32  0.0  0.9  1.0

Li Hf Mg