# generated using pymatgen
data_Ni21(SnB3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41527394
_cell_length_b   7.41525786
_cell_length_c   7.41529771
_cell_angle_alpha   60.00436866
_cell_angle_beta   60.00412213
_cell_angle_gamma   60.00420543
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni21(SnB3)2
_chemical_formula_sum   'Ni21 Sn2 B6'
_cell_volume   288.34254000
_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
  Ni  Ni0  1  0.66378037  -0.00000264  -0.00000325  1.0
  Ni  Ni1  1  0.15582729  0.61474118  0.61471215  1.0
  Ni  Ni2  1  0.61472901  0.61472701  0.61469991  1.0
  Ni  Ni3  1  0.61472530  0.61472508  0.15584624  1.0
  Ni  Ni4  1  0.38525833  0.84417154  0.38528782  1.0
  Ni  Ni5  1  0.66377702  0.33622502  0.99999898  1.0
  Ni  Ni6  1  1.00000946  0.33623029  0.66375060  1.0
  Ni  Ni7  1  0.99999197  0.99999192  0.33625073  1.0
  Ni  Ni8  1  0.33622008  1.00000232  1.00000256  1.0
  Ni  Ni9  1  0.00000763  0.00000763  0.66374981  1.0
  Ni  Ni10  1  1.00000132  0.33622623  1.00000166  1.0
  Ni  Ni11  1  0.66376494  0.99998980  0.33625602  1.0
  Ni  Ni12  1  1.00000009  0.00000016  -0.00000023  1.0
  Ni  Ni13  1  -0.00000168  0.66377432  -0.00000232  1.0
  Ni  Ni14  1  0.33623530  1.00000999  0.66374453  1.0
  Ni  Ni15  1  0.99999035  0.66376980  0.33625003  1.0
  Ni  Ni16  1  0.33622351  0.66377546  1.00000048  1.0
  Ni  Ni17  1  0.84417203  0.38525885  0.38528824  1.0
  Ni  Ni18  1  0.38527478  0.38527497  0.84415310  1.0
  Ni  Ni19  1  0.61474170  0.15582799  0.61471241  1.0
  Ni  Ni20  1  0.38527117  0.38527307  0.38530050  1.0
  Sn  Sn21  1  0.75001167  0.75001153  0.74998622  1.0
  Sn  Sn22  1  0.24998832  0.24998854  0.25001382  1.0
  B  B23  1  0.72764341  0.72764377  0.27236195  1.0
  B  B24  1  0.72765100  0.27235441  0.72763362  1.0
  B  B25  1  0.27234908  0.72764557  0.27236637  1.0
  B  B26  1  0.72764724  0.27234699  0.27236469  1.0
  B  B27  1  0.27235271  0.72765302  0.72763532  1.0
  B  B28  1  0.27235660  0.27235621  0.72763803  1.0