# generated using pymatgen
data_BaMg6B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71556406
_cell_length_b   8.71556406
_cell_length_c   3.96097000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   137.63106726
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg6B
_chemical_formula_sum   'Ba1 Mg6 B1'
_cell_volume   202.76323845
_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  0.22430400  0.77569600  0.00000000  1.0
  Mg  Mg1  1  0.18767900  0.36167400  0.00000000  1.0
  Mg  Mg2  1  0.63832600  0.81232100  0.00000000  1.0
  Mg  Mg3  1  0.64751100  0.35248900  0.00000000  1.0
  Mg  Mg4  1  0.29099900  0.20524800  0.50000000  1.0
  Mg  Mg5  1  0.79475200  0.70900100  0.50000000  1.0
  Mg  Mg6  1  0.80737500  0.19262500  0.50000000  1.0
  B  B7  1  0.40905400  0.59094600  0.50000000  1.0