# generated using pymatgen
data_Mg14SiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16967829
_cell_length_b   6.16967783
_cell_length_c   10.02440889
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000251
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14SiB
_chemical_formula_sum   'Mg14 Si1 B1'
_cell_volume   330.45657642
_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  0.16672561  0.83336230  0.12500000  1.0
  Mg  Mg1  1  0.16566168  0.83283034  0.62500000  1.0
  Mg  Mg2  1  0.66663770  0.33327439  0.12500000  1.0
  Mg  Mg3  1  0.66716966  0.33433832  0.62500000  1.0
  Mg  Mg4  1  0.66663770  0.83336230  0.12500000  1.0
  Mg  Mg5  1  0.66716966  0.83283034  0.62500000  1.0
  Mg  Mg6  1  0.32890974  0.17109026  0.37977885  1.0
  Mg  Mg7  1  0.32890974  0.17109026  0.87022115  1.0
  Mg  Mg8  1  0.32890974  0.65782049  0.37977885  1.0
  Mg  Mg9  1  0.32890974  0.65782049  0.87022115  1.0
  Mg  Mg10  1  0.84217951  0.17109026  0.37977885  1.0
  Mg  Mg11  1  0.84217951  0.17109026  0.87022115  1.0
  Mg  Mg12  1  0.83333300  0.66666700  0.37506780  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.87493220  1.0
  Si  Si14  1  0.16666700  0.33333300  0.12500000  1.0
  B  B15  1  0.16666700  0.33333300  0.62500000  1.0