# generated using pymatgen
data_HfMg14B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26287325
_cell_length_b   6.26287276
_cell_length_c   9.97124929
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg14B
_chemical_formula_sum   'Hf1 Mg14 B1'
_cell_volume   338.70952155
_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  0.16666700  0.33333300  0.62500000  1.0
  Mg  Mg1  1  0.16117910  0.83058905  0.12500000  1.0
  Mg  Mg2  1  0.17586876  0.83793388  0.62500000  1.0
  Mg  Mg3  1  0.66941095  0.33882090  0.12500000  1.0
  Mg  Mg4  1  0.66206612  0.32413124  0.62500000  1.0
  Mg  Mg5  1  0.66941095  0.83058905  0.12500000  1.0
  Mg  Mg6  1  0.66206612  0.83793388  0.62500000  1.0
  Mg  Mg7  1  0.32507828  0.17492172  0.36543661  1.0
  Mg  Mg8  1  0.32507828  0.17492172  0.88456339  1.0
  Mg  Mg9  1  0.32507828  0.65015755  0.36543661  1.0
  Mg  Mg10  1  0.32507828  0.65015755  0.88456339  1.0
  Mg  Mg11  1  0.84984245  0.17492172  0.36543661  1.0
  Mg  Mg12  1  0.84984245  0.17492172  0.88456339  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.38350702  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.86649298  1.0
  B  B15  1  0.16666700  0.33333300  0.12500000  1.0