# generated using pymatgen
data_Mg14NbB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20964747
_cell_length_b   6.20964698
_cell_length_c   9.90477856
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000253
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14NbB
_chemical_formula_sum   'Mg14 Nb1 B1'
_cell_volume   330.75715521
_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  0.17365688  0.83682794  0.12500000  1.0
  Mg  Mg1  1  0.16378816  0.83189358  0.62500000  1.0
  Mg  Mg2  1  0.66317206  0.32634312  0.12500000  1.0
  Mg  Mg3  1  0.66810642  0.33621184  0.62500000  1.0
  Mg  Mg4  1  0.66317206  0.83682794  0.12500000  1.0
  Mg  Mg5  1  0.66810642  0.83189358  0.62500000  1.0
  Mg  Mg6  1  0.32334715  0.17665285  0.38190253  1.0
  Mg  Mg7  1  0.32334715  0.17665285  0.86809747  1.0
  Mg  Mg8  1  0.32334715  0.64669531  0.38190253  1.0
  Mg  Mg9  1  0.32334715  0.64669531  0.86809747  1.0
  Mg  Mg10  1  0.85330469  0.17665285  0.38190253  1.0
  Mg  Mg11  1  0.85330469  0.17665285  0.86809747  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.36792769  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.88207231  1.0
  Nb  Nb14  1  0.16666700  0.33333300  0.12500000  1.0
  B  B15  1  0.16666700  0.33333300  0.62500000  1.0