# generated using pymatgen
data_Mg14NbB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23015711
_cell_length_b   6.09913182
_cell_length_c   10.02955509
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.30671595
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14NbB
_chemical_formula_sum   'Mg14 Nb1 B1'
_cell_volume   332.33118815
_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  0.16856633  0.33428267  0.62500000  1.0
  Mg  Mg1  1  0.16572620  0.83286260  0.62500000  1.0
  Mg  Mg2  1  0.66304591  0.32672725  0.12500000  1.0
  Mg  Mg3  1  0.66292308  0.33348398  0.62500000  1.0
  Mg  Mg4  1  0.66304591  0.83631766  0.12500000  1.0
  Mg  Mg5  1  0.66292308  0.82943810  0.62500000  1.0
  Mg  Mg6  1  0.32810230  0.16042473  0.35889464  1.0
  Mg  Mg7  1  0.32810230  0.16042473  0.89110536  1.0
  Mg  Mg8  1  0.32810230  0.66767857  0.35889464  1.0
  Mg  Mg9  1  0.32810230  0.66767857  0.89110536  1.0
  Mg  Mg10  1  0.84125512  0.17062806  0.37338984  1.0
  Mg  Mg11  1  0.84125512  0.17062806  0.87661016  1.0
  Mg  Mg12  1  0.84810861  0.67405481  0.36096003  1.0
  Mg  Mg13  1  0.84810861  0.67405481  0.88903997  1.0
  Nb  Nb14  1  0.15344205  0.32672053  0.12500000  1.0
  B  B15  1  0.16919078  0.83459489  0.12500000  1.0