# generated using pymatgen
data_Mg14NiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20589684
_cell_length_b   6.20589637
_cell_length_c   9.81163601
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000252
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14NiB
_chemical_formula_sum   'Mg14 Ni1 B1'
_cell_volume   327.25110384
_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  0.16666172  0.83333036  0.12500000  1.0
  Mg  Mg1  1  0.16607640  0.83303770  0.62500000  1.0
  Mg  Mg2  1  0.66666964  0.33333828  0.12500000  1.0
  Mg  Mg3  1  0.66696230  0.33392360  0.62500000  1.0
  Mg  Mg4  1  0.66666964  0.83333036  0.12500000  1.0
  Mg  Mg5  1  0.66696230  0.83303770  0.62500000  1.0
  Mg  Mg6  1  0.32516551  0.17483449  0.37499471  1.0
  Mg  Mg7  1  0.32516551  0.17483449  0.87500529  1.0
  Mg  Mg8  1  0.32516551  0.65033202  0.37499471  1.0
  Mg  Mg9  1  0.32516551  0.65033202  0.87500529  1.0
  Mg  Mg10  1  0.84966798  0.17483449  0.37499471  1.0
  Mg  Mg11  1  0.84966798  0.17483449  0.87500529  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37334519  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87665481  1.0
  Ni  Ni14  1  0.16666700  0.33333300  0.12500000  1.0
  B  B15  1  0.16666700  0.33333300  0.62500000  1.0