# generated using pymatgen
data_MgAl(Ni7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34452664
_cell_length_b   7.34452712
_cell_length_c   7.34452703
_cell_angle_alpha   60.00000040
_cell_angle_beta   59.99999824
_cell_angle_gamma   59.99999591
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAl(Ni7B2)3
_chemical_formula_sum   'Mg1 Al1 Ni21 B6'
_cell_volume   280.14086564
_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  0.25000000  0.25000000  0.25000000  1.0
  Al  Al1  1  0.75000000  0.75000000  0.75000000  1.0
  Ni  Ni2  1  0.38654286  0.38654286  0.38654286  1.0
  Ni  Ni3  1  0.61897999  0.61897999  0.61897999  1.0
  Ni  Ni4  1  0.38654286  0.38654286  0.84037043  1.0
  Ni  Ni5  1  0.38654286  0.84037043  0.38654286  1.0
  Ni  Ni6  1  0.61897999  0.61897999  0.14306203  1.0
  Ni  Ni7  1  0.61897999  0.14306203  0.61897999  1.0
  Ni  Ni8  1  0.84037043  0.38654286  0.38654286  1.0
  Ni  Ni9  1  0.14306203  0.61897999  0.61897999  1.0
  Ni  Ni10  1  0.33804222  0.99968071  0.99968071  1.0
  Ni  Ni11  1  0.66259535  0.99968071  0.99968071  1.0
  Ni  Ni12  1  0.99968071  0.33804222  0.66259535  1.0
  Ni  Ni13  1  0.99968071  0.66259535  0.33804222  1.0
  Ni  Ni14  1  0.99968071  0.33804222  0.99968071  1.0
  Ni  Ni15  1  0.66259535  0.99968071  0.33804222  1.0
  Ni  Ni16  1  0.99968071  0.66259535  0.99968071  1.0
  Ni  Ni17  1  0.33804222  0.99968071  0.66259535  1.0
  Ni  Ni18  1  0.99968071  0.99968071  0.33804222  1.0
  Ni  Ni19  1  0.99968071  0.99968071  0.66259535  1.0
  Ni  Ni20  1  0.66259535  0.33804222  0.99968071  1.0
  Ni  Ni21  1  0.33804222  0.66259535  0.99968071  1.0
  Ni  Ni22  1  0.00000000  0.00000000  0.00000000  1.0
  B  B23  1  0.72705652  0.27294348  0.27294348  1.0
  B  B24  1  0.27294348  0.72705652  0.72705652  1.0
  B  B25  1  0.27294348  0.72705652  0.27294348  1.0
  B  B26  1  0.72705652  0.27294348  0.72705652  1.0
  B  B27  1  0.27294348  0.27294348  0.72705652  1.0
  B  B28  1  0.72705652  0.72705652  0.27294348  1.0