# generated using pymatgen
data_Hf3TiMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47536902
_cell_length_b   8.47536843
_cell_length_c   8.47536850
_cell_angle_alpha   59.99999972
_cell_angle_beta   60.00000201
_cell_angle_gamma   60.00000141
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3TiMn2
_chemical_formula_sum   'Hf12 Ti4 Mn8'
_cell_volume   430.48775761
_cell_formula_units_Z   4
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
  Hf  Hf0  1  0.43327639  0.81672361  0.81672361  1.0
  Hf  Hf1  1  0.81672361  0.43327639  0.43327639  1.0
  Hf  Hf2  1  0.81672361  0.43327639  0.81672361  1.0
  Hf  Hf3  1  0.43327639  0.81672361  0.43327639  1.0
  Hf  Hf4  1  0.81672361  0.81672361  0.43327639  1.0
  Hf  Hf5  1  0.43327639  0.43327639  0.81672361  1.0
  Hf  Hf6  1  0.56672361  0.18327639  0.18327639  1.0
  Hf  Hf7  1  0.18327639  0.56672361  0.56672361  1.0
  Hf  Hf8  1  0.18327639  0.56672361  0.18327639  1.0
  Hf  Hf9  1  0.56672361  0.18327639  0.56672361  1.0
  Hf  Hf10  1  0.18327639  0.18327639  0.56672361  1.0
  Hf  Hf11  1  0.56672361  0.56672361  0.18327639  1.0
  Ti  Ti12  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti13  1  0.00000000  0.50000000  0.00000000  1.0
  Ti  Ti14  1  0.50000000  0.00000000  0.00000000  1.0
  Ti  Ti15  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn16  1  0.20887595  0.20887595  0.87337115  1.0
  Mn  Mn17  1  0.20887595  0.87337115  0.20887595  1.0
  Mn  Mn18  1  0.87337115  0.20887595  0.20887595  1.0
  Mn  Mn19  1  0.20887595  0.20887595  0.20887595  1.0
  Mn  Mn20  1  0.79112405  0.79112405  0.12662885  1.0
  Mn  Mn21  1  0.79112405  0.12662885  0.79112405  1.0
  Mn  Mn22  1  0.12662885  0.79112405  0.79112405  1.0
  Mn  Mn23  1  0.79112405  0.79112405  0.79112405  1.0