# generated using pymatgen
data_Mg6ZnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12674607
_cell_length_b   6.12674607
_cell_length_c   4.14608600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.62599571
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6ZnB
_chemical_formula_sum   'Mg6 Zn1 B1'
_cell_volume   155.32014898
_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  0.39433700  0.11159000  0.50000000  1.0
  Mg  Mg1  1  0.88841000  0.60566300  0.50000000  1.0
  Mg  Mg2  1  0.20764300  0.44102700  0.00000000  1.0
  Mg  Mg3  1  0.55897300  0.79235700  0.00000000  1.0
  Mg  Mg4  1  0.69798200  0.30201800  0.00000000  1.0
  Mg  Mg5  1  0.09573100  0.90426900  0.00000000  1.0
  Zn  Zn6  1  0.89183500  0.10816500  0.50000000  1.0
  B  B7  1  0.26509900  0.73490100  0.50000000  1.0