# generated using pymatgen
data_Mg14SiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28975040
_cell_length_b   6.46341913
_cell_length_c   9.75548348
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.91766458
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14SiB
_chemical_formula_sum   'Mg14 Si1 B1'
_cell_volume   340.23932370
_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  0.17754845  0.33877372  0.62500000  1.0
  Mg  Mg1  1  0.17618710  0.83809305  0.62500000  1.0
  Mg  Mg2  1  0.74627889  0.38008135  0.12500000  1.0
  Mg  Mg3  1  0.66163838  0.33174450  0.62500000  1.0
  Mg  Mg4  1  0.74627889  0.86619654  0.12500000  1.0
  Mg  Mg5  1  0.66163838  0.82989288  0.62500000  1.0
  Mg  Mg6  1  0.31224095  0.14117702  0.32586452  1.0
  Mg  Mg7  1  0.31224095  0.14117702  0.92413548  1.0
  Mg  Mg8  1  0.31224095  0.67106493  0.32586452  1.0
  Mg  Mg9  1  0.31224095  0.67106493  0.92413548  1.0
  Mg  Mg10  1  0.83169666  0.16584883  0.37496059  1.0
  Mg  Mg11  1  0.83169666  0.16584883  0.87503941  1.0
  Mg  Mg12  1  0.83211879  0.66605989  0.37196661  1.0
  Mg  Mg13  1  0.83211879  0.66605989  0.87803339  1.0
  Si  Si14  1  0.14916900  0.32458400  0.12500000  1.0
  B  B15  1  0.10466624  0.80233262  0.12500000  1.0