data_LiHfMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.27
_cell_length_b   9.27
_cell_length_c   9.27
_cell_angle_alpha   18.41
_cell_angle_beta   18.41
_cell_angle_gamma   18.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfMn2
_chemical_formula_sum   'Li1 Hf1 Mn2'
_cell_volume   69.35
_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
  Hf  Hf0  1  0.0  0.0  0.66  1.0
  Mn  Mn2  1  0.0  0.0  0.52  1.0
  Mn  Mn3  1  0.0  0.0  0.81  1.0

data_LiHfMn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   2.96
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   100.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHfMn2
_chemical_formula_sum   'Li2 Hf2 Mn4'
_cell_volume   138.69
_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  0.0  0.0  0.0  1.0
  Hf  Hf1  2  0.0  0.0  0.34  1.0
  Mn  Mn2  2  0.0  0.0  0.19  1.0
  Mn  Mn3  2  0.0  0.0  0.48  1.0

Li Hf Mn Mn