# generated using pymatgen
data_Al2(Ni7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32143576
_cell_length_b   7.32145488
_cell_length_c   7.32144923
_cell_angle_alpha   60.00140656
_cell_angle_beta   60.00155107
_cell_angle_gamma   60.00147950
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2(Ni7B2)3
_chemical_formula_sum   'Al2 Ni21 B6'
_cell_volume   277.51743091
_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  0.25000005  0.25000017  0.25000015  1.0
  Al  Al1  1  0.74999994  0.74999985  0.74999984  1.0
  Ni  Ni2  1  0.38252073  0.38253241  0.38251780  1.0
  Ni  Ni3  1  0.61747931  0.61746756  0.61748216  1.0
  Ni  Ni4  1  0.38253279  0.38251914  0.85242823  1.0
  Ni  Ni5  1  0.38251840  0.85242861  0.38251948  1.0
  Ni  Ni6  1  0.61746730  0.61748068  0.14757176  1.0
  Ni  Ni7  1  0.61748156  0.14757132  0.61748052  1.0
  Ni  Ni8  1  0.85242754  0.38251763  0.38253305  1.0
  Ni  Ni9  1  0.14757248  0.61748256  0.61746686  1.0
  Ni  Ni10  1  0.33816503  0.99999201  0.00000521  1.0
  Ni  Ni11  1  0.66183483  0.00000798  0.99999480  1.0
  Ni  Ni12  1  0.99999367  0.33816238  0.66183707  1.0
  Ni  Ni13  1  0.00000652  0.66183755  0.33816276  1.0
  Ni  Ni14  1  -0.00000161  0.33815592  -0.00000023  1.0
  Ni  Ni15  1  0.66184354  0.00000107  0.33815591  1.0
  Ni  Ni16  1  0.00000165  0.66184410  0.00000017  1.0
  Ni  Ni17  1  0.33815647  0.99999897  0.66184420  1.0
  Ni  Ni18  1  0.00000471  0.99999308  0.33816398  1.0
  Ni  Ni19  1  0.99999528  0.00000685  0.66183604  1.0
  Ni  Ni20  1  0.66183572  0.33816321  0.99999474  1.0
  Ni  Ni21  1  0.33816429  0.66183686  0.00000546  1.0
  Ni  Ni22  1  -0.00000017  0.00000001  0.00000013  1.0
  B  B23  1  0.72695349  0.27304527  0.27304524  1.0
  B  B24  1  0.27304650  0.72695474  0.72695472  1.0
  B  B25  1  0.27304412  0.72695550  0.27304408  1.0
  B  B26  1  0.72695586  0.27304454  0.72695591  1.0
  B  B27  1  0.27304434  0.27304444  0.72695434  1.0
  B  B28  1  0.72695564  0.72695559  0.27304565  1.0