# generated using pymatgen
data_Mg14BiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38824110
_cell_length_b   6.55754526
_cell_length_c   9.98308362
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.88064199
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14BiB
_chemical_formula_sum   'Mg14 Bi1 B1'
_cell_volume   358.91799020
_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  0.17398748  0.33699324  0.62500000  1.0
  Mg  Mg1  1  0.17683117  0.83841508  0.62500000  1.0
  Mg  Mg2  1  0.70504660  0.34767238  0.12500000  1.0
  Mg  Mg3  1  0.66759042  0.32770050  0.62500000  1.0
  Mg  Mg4  1  0.70504660  0.85737322  0.12500000  1.0
  Mg  Mg5  1  0.66759042  0.83988892  0.62500000  1.0
  Mg  Mg6  1  0.32732062  0.18227581  0.35913694  1.0
  Mg  Mg7  1  0.32732062  0.18227581  0.89086306  1.0
  Mg  Mg8  1  0.32732062  0.64504581  0.35913694  1.0
  Mg  Mg9  1  0.32732062  0.64504581  0.89086306  1.0
  Mg  Mg10  1  0.84667566  0.17333833  0.36390035  1.0
  Mg  Mg11  1  0.84667566  0.17333833  0.88609965  1.0
  Mg  Mg12  1  0.82961798  0.66480949  0.38224804  1.0
  Mg  Mg13  1  0.82961798  0.66480949  0.86775196  1.0
  Bi  Bi14  1  0.17261328  0.83630614  0.12500000  1.0
  B  B15  1  0.06942427  0.28471163  0.12500000  1.0