# generated using pymatgen
data_Al3B28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13140698
_cell_length_b   7.13140632
_cell_length_c   5.87360848
_cell_angle_alpha   65.99774588
_cell_angle_beta   65.99775065
_cell_angle_gamma   91.84248243
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3B28
_chemical_formula_sum   'Al3 B28'
_cell_volume   242.19755597
_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
  Al  Al0  1  0.85056679  0.85056679  0.29085165  1.0
  Al  Al1  1  0.48396171  0.48396171  0.53613943  1.0
  Al  Al2  1  0.15329775  0.15329775  0.46401543  1.0
  B  B3  1  0.41136000  0.73499705  0.17955020  1.0
  B  B4  1  0.59309160  0.26301641  0.83202044  1.0
  B  B5  1  0.26301641  0.59309160  0.83202044  1.0
  B  B6  1  0.73499705  0.41136000  0.17955020  1.0
  B  B7  1  0.69145682  0.85810458  0.97989705  1.0
  B  B8  1  0.31169433  0.14198814  0.03300916  1.0
  B  B9  1  0.14198814  0.31169433  0.03300916  1.0
  B  B10  1  0.85810458  0.69145682  0.97989705  1.0
  B  B11  1  0.53156443  0.87469058  0.30048315  1.0
  B  B12  1  0.47508986  0.12845047  0.20446462  1.0
  B  B13  1  0.12845047  0.47508986  0.20446462  1.0
  B  B14  1  0.87469058  0.53156443  0.30048315  1.0
  B  B15  1  0.46555418  0.12190574  0.71532666  1.0
  B  B16  1  0.53452220  0.87115867  0.80513373  1.0
  B  B17  1  0.87115867  0.53452220  0.80513373  1.0
  B  B18  1  0.12190574  0.46555418  0.71532666  1.0
  B  B19  1  0.73085946  0.10054209  0.99841981  1.0
  B  B20  1  0.27412862  0.89852578  0.32780966  1.0
  B  B21  1  0.89852578  0.27412862  0.32780966  1.0
  B  B22  1  0.10054209  0.73085946  0.99841981  1.0
  B  B23  1  0.27173643  0.90043425  0.01839279  1.0
  B  B24  1  0.72997334  0.09916150  0.68936432  1.0
  B  B25  1  0.09916150  0.72997334  0.68936432  1.0
  B  B26  1  0.90043425  0.27173643  0.01839279  1.0
  B  B27  1  0.26991438  0.46740756  0.38877908  1.0
  B  B28  1  0.72721510  0.53363118  0.63184356  1.0
  B  B29  1  0.53363118  0.72721510  0.63184356  1.0
  B  B30  1  0.46740756  0.26991438  0.38877908  1.0