# generated using pymatgen
data_BaMg14B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46485045
_cell_length_b   6.46484991
_cell_length_c   10.50837362
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000279
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg14B
_chemical_formula_sum   'Ba1 Mg14 B1'
_cell_volume   380.34967964
_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
  Ba  Ba0  1  0.16666700  0.33333300  0.12500000  1.0
  Mg  Mg1  1  0.17909436  0.83954668  0.12500000  1.0
  Mg  Mg2  1  0.15483037  0.82741468  0.62500000  1.0
  Mg  Mg3  1  0.66045332  0.32090564  0.12500000  1.0
  Mg  Mg4  1  0.67258532  0.34516963  0.62500000  1.0
  Mg  Mg5  1  0.66045332  0.83954668  0.12500000  1.0
  Mg  Mg6  1  0.67258532  0.82741468  0.62500000  1.0
  Mg  Mg7  1  0.33008798  0.16991202  0.40314376  1.0
  Mg  Mg8  1  0.33008798  0.16991202  0.84685624  1.0
  Mg  Mg9  1  0.33008798  0.66017695  0.40314376  1.0
  Mg  Mg10  1  0.33008798  0.66017695  0.84685624  1.0
  Mg  Mg11  1  0.83982305  0.16991202  0.40314376  1.0
  Mg  Mg12  1  0.83982305  0.16991202  0.84685624  1.0
  Mg  Mg13  1  0.83333300  0.66666700  0.36475338  1.0
  Mg  Mg14  1  0.83333300  0.66666700  0.88524662  1.0
  B  B15  1  0.16666700  0.33333300  0.62500000  1.0