# generated using pymatgen
data_Mg14FeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17382890
_cell_length_b   6.17382844
_cell_length_c   9.83660916
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000244
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14FeB
_chemical_formula_sum   'Mg14 Fe1 B1'
_cell_volume   324.70216440
_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
  Mg  Mg0  1  0.16884899  0.83442399  0.12500000  1.0
  Mg  Mg1  1  0.16617208  0.83308554  0.62500000  1.0
  Mg  Mg2  1  0.66557601  0.33115101  0.12500000  1.0
  Mg  Mg3  1  0.66691446  0.33382792  0.62500000  1.0
  Mg  Mg4  1  0.66557601  0.83442399  0.12500000  1.0
  Mg  Mg5  1  0.66691446  0.83308554  0.62500000  1.0
  Mg  Mg6  1  0.32521695  0.17478305  0.37726945  1.0
  Mg  Mg7  1  0.32521695  0.17478305  0.87273055  1.0
  Mg  Mg8  1  0.32521695  0.65043491  0.37726945  1.0
  Mg  Mg9  1  0.32521695  0.65043491  0.87273055  1.0
  Mg  Mg10  1  0.84956509  0.17478305  0.37726945  1.0
  Mg  Mg11  1  0.84956509  0.17478305  0.87273055  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37174704  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87825296  1.0
  Fe  Fe14  1  0.16666700  0.33333300  0.12500000  1.0
  B  B15  1  0.16666700  0.33333300  0.62500000  1.0