# generated using pymatgen
data_HfSc(Mn4Nb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19556807
_cell_length_b   5.19556698
_cell_length_c   8.03817854
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001465
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc(Mn4Nb)2
_chemical_formula_sum   'Hf1 Sc1 Mn8 Nb2'
_cell_volume   187.91186504
_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
  Hf  Hf0  1  0.33333300  0.66666700  0.44207674  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.94229120  1.0
  Mn  Mn2  1  0.16981727  0.33963354  0.74787367  1.0
  Mn  Mn3  1  0.83025897  0.16974103  0.24998363  1.0
  Mn  Mn4  1  0.33948206  0.16974103  0.24998363  1.0
  Mn  Mn5  1  0.66036646  0.83018273  0.74787367  1.0
  Mn  Mn6  1  0.00000000  0.00000000  0.99856155  1.0
  Mn  Mn7  1  0.00000000  0.00000000  0.49826372  1.0
  Mn  Mn8  1  0.83025897  0.66051794  0.24998363  1.0
  Mn  Mn9  1  0.16981727  0.83018273  0.74787367  1.0
  Nb  Nb10  1  0.66666700  0.33333300  0.56008255  1.0
  Nb  Nb11  1  0.33333300  0.66666700  0.06514734  1.0