# generated using pymatgen
data_HfMg14B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35746995
_cell_length_b   5.96219574
_cell_length_c   10.10141980
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.96374035
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMg14B
_chemical_formula_sum   'Hf1 Mg14 B1'
_cell_volume   338.18467126
_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  0.12640532  0.81320216  0.12500000  1.0
  Mg  Mg1  1  0.15592722  0.32796311  0.62500000  1.0
  Mg  Mg2  1  0.16483491  0.83241696  0.62500000  1.0
  Mg  Mg3  1  0.61155670  0.32006006  0.12500000  1.0
  Mg  Mg4  1  0.66222872  0.32640560  0.62500000  1.0
  Mg  Mg5  1  0.61155670  0.79149564  0.12500000  1.0
  Mg  Mg6  1  0.66222872  0.83582213  0.62500000  1.0
  Mg  Mg7  1  0.33838714  0.16709779  0.36982316  1.0
  Mg  Mg8  1  0.33838714  0.16709779  0.88017684  1.0
  Mg  Mg9  1  0.33838714  0.67129035  0.36982316  1.0
  Mg  Mg10  1  0.33838714  0.67129035  0.88017684  1.0
  Mg  Mg11  1  0.88445778  0.19222939  0.32607576  1.0
  Mg  Mg12  1  0.88445778  0.19222939  0.92392424  1.0
  Mg  Mg13  1  0.83569685  0.66784892  0.37772762  1.0
  Mg  Mg14  1  0.83569685  0.66784892  0.87227238  1.0
  B  B15  1  0.21140388  0.35570144  0.12500000  1.0