# generated using pymatgen
data_Mg14BiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32239634
_cell_length_b   6.32239583
_cell_length_c   10.17049571
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14BiB
_chemical_formula_sum   'Mg14 Bi1 B1'
_cell_volume   352.07577296
_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  0.16016664  0.83008282  0.12500000  1.0
  Mg  Mg1  1  0.16915243  0.83457572  0.62500000  1.0
  Mg  Mg2  1  0.66991718  0.33983336  0.12500000  1.0
  Mg  Mg3  1  0.66542428  0.33084757  0.62500000  1.0
  Mg  Mg4  1  0.66991718  0.83008282  0.12500000  1.0
  Mg  Mg5  1  0.66542428  0.83457572  0.62500000  1.0
  Mg  Mg6  1  0.33189197  0.16810803  0.35823893  1.0
  Mg  Mg7  1  0.33189197  0.16810803  0.89176107  1.0
  Mg  Mg8  1  0.33189197  0.66378494  0.35823893  1.0
  Mg  Mg9  1  0.33189197  0.66378494  0.89176107  1.0
  Mg  Mg10  1  0.83621506  0.16810803  0.35823893  1.0
  Mg  Mg11  1  0.83621506  0.16810803  0.89176107  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37722397  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87277603  1.0
  Bi  Bi14  1  0.16666700  0.33333300  0.62500000  1.0
  B  B15  1  0.16666700  0.33333300  0.12500000  1.0