# generated using pymatgen
data_BaMg6B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94049340
_cell_length_b   7.94049340
_cell_length_c   4.72342600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   136.24727972
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg6B
_chemical_formula_sum   'Ba1 Mg6 B1'
_cell_volume   205.95579483
_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  0.79556300  0.20443700  0.50000000  1.0
  Mg  Mg1  1  0.29995100  0.19063700  0.50000000  1.0
  Mg  Mg2  1  0.80936300  0.70004900  0.50000000  1.0
  Mg  Mg3  1  0.19060800  0.34480400  0.00000000  1.0
  Mg  Mg4  1  0.65519600  0.80939200  0.00000000  1.0
  Mg  Mg5  1  0.62458300  0.37541700  0.00000000  1.0
  Mg  Mg6  1  0.19662500  0.80337500  0.00000000  1.0
  B  B7  1  0.42811500  0.57188500  0.50000000  1.0