# generated using pymatgen
data_Mg6ZnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34372733
_cell_length_b   6.34372733
_cell_length_c   3.88559700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.71550579
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6ZnB
_chemical_formula_sum   'Mg6 Zn1 B1'
_cell_volume   153.64094197
_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  0.95350400  0.68979400  0.50000000  1.0
  Mg  Mg1  1  0.31020600  0.04649600  0.50000000  1.0
  Mg  Mg2  1  0.87251000  0.12749000  0.50000000  1.0
  Mg  Mg3  1  0.61673600  0.84632100  0.00000000  1.0
  Mg  Mg4  1  0.15367900  0.38326400  0.00000000  1.0
  Mg  Mg5  1  0.64035700  0.35964300  0.00000000  1.0
  Zn  Zn6  1  0.42963700  0.57036300  0.50000000  1.0
  B  B7  1  0.02337200  0.97662800  0.00000000  1.0