# generated using pymatgen
data_Nb2Ni20SnB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45695117
_cell_length_b   7.45695055
_cell_length_c   7.45695098
_cell_angle_alpha   60.00000244
_cell_angle_beta   60.00000521
_cell_angle_gamma   59.99999819
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Ni20SnB6
_chemical_formula_sum   'Nb2 Ni20 Sn1 B6'
_cell_volume   293.20331210
_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
  Nb  Nb0  1  0.75000000  0.75000000  0.75000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni2  1  0.38550873  0.38550873  0.38550873  1.0
  Ni  Ni3  1  0.61535807  0.61535807  0.61535807  1.0
  Ni  Ni4  1  0.38550873  0.38550873  0.84347381  1.0
  Ni  Ni5  1  0.38550873  0.84347381  0.38550873  1.0
  Ni  Ni6  1  0.61535807  0.61535807  0.15392578  1.0
  Ni  Ni7  1  0.61535807  0.15392578  0.61535807  1.0
  Ni  Ni8  1  0.84347381  0.38550873  0.38550873  1.0
  Ni  Ni9  1  0.15392578  0.61535807  0.61535807  1.0
  Ni  Ni10  1  0.34528814  0.99729989  0.99729989  1.0
  Ni  Ni11  1  0.66011208  0.99729989  0.99729989  1.0
  Ni  Ni12  1  0.99729989  0.34528814  0.66011208  1.0
  Ni  Ni13  1  0.99729989  0.66011208  0.34528814  1.0
  Ni  Ni14  1  0.99729989  0.34528814  0.99729989  1.0
  Ni  Ni15  1  0.66011208  0.99729989  0.34528814  1.0
  Ni  Ni16  1  0.99729989  0.66011208  0.99729989  1.0
  Ni  Ni17  1  0.34528814  0.99729989  0.66011208  1.0
  Ni  Ni18  1  0.99729989  0.99729989  0.34528814  1.0
  Ni  Ni19  1  0.99729989  0.99729989  0.66011208  1.0
  Ni  Ni20  1  0.66011208  0.34528814  0.99729989  1.0
  Ni  Ni21  1  0.34528814  0.66011208  0.99729989  1.0
  Sn  Sn22  1  0.25000000  0.25000000  0.25000000  1.0
  B  B23  1  0.73084302  0.26915698  0.26915698  1.0
  B  B24  1  0.26915698  0.73084302  0.73084302  1.0
  B  B25  1  0.26915698  0.73084302  0.26915698  1.0
  B  B26  1  0.73084302  0.26915698  0.73084302  1.0
  B  B27  1  0.26915698  0.26915698  0.73084302  1.0
  B  B28  1  0.73084302  0.73084302  0.26915698  1.0