# generated using pymatgen
data_Ta2Ni20SnB6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44632258
_cell_length_b   7.44632291
_cell_length_c   7.44632195
_cell_angle_alpha   59.99999994
_cell_angle_beta   59.99999845
_cell_angle_gamma   60.00000045
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Ni20SnB6
_chemical_formula_sum   'Ta2 Ni20 Sn1 B6'
_cell_volume   291.95137132
_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
  Ta  Ta0  1  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta1  1  0.25000000  0.25000000  0.25000000  1.0
  Ni  Ni2  1  0.61457617  0.61457617  0.15627250  1.0
  Ni  Ni3  1  0.61457617  0.15627250  0.61457617  1.0
  Ni  Ni4  1  0.15627250  0.61457617  0.61457617  1.0
  Ni  Ni5  1  0.61457617  0.61457617  0.61457617  1.0
  Ni  Ni6  1  0.38435759  0.38435759  0.84692824  1.0
  Ni  Ni7  1  0.38435759  0.84692824  0.38435759  1.0
  Ni  Ni8  1  0.84692824  0.38435759  0.38435759  1.0
  Ni  Ni9  1  0.38435759  0.38435759  0.38435759  1.0
  Ni  Ni10  1  0.00279167  0.00279167  0.33937085  1.0
  Ni  Ni11  1  0.65504582  0.00279167  0.33937085  1.0
  Ni  Ni12  1  0.00279167  0.65504582  0.33937085  1.0
  Ni  Ni13  1  0.65504582  0.33937085  0.00279167  1.0
  Ni  Ni14  1  0.00279167  0.33937085  0.00279167  1.0
  Ni  Ni15  1  0.00279167  0.33937085  0.65504582  1.0
  Ni  Ni16  1  0.33937085  0.65504582  0.00279167  1.0
  Ni  Ni17  1  0.33937085  0.00279167  0.65504582  1.0
  Ni  Ni18  1  0.33937085  0.00279167  0.00279167  1.0
  Ni  Ni19  1  0.00279167  0.00279167  0.65504582  1.0
  Ni  Ni20  1  0.00279167  0.65504582  0.00279167  1.0
  Ni  Ni21  1  0.65504582  0.00279167  0.00279167  1.0
  Sn  Sn22  1  0.75000000  0.75000000  0.75000000  1.0
  B  B23  1  0.73061656  0.73061656  0.26938344  1.0
  B  B24  1  0.26938344  0.73061656  0.26938344  1.0
  B  B25  1  0.73061656  0.26938344  0.26938344  1.0
  B  B26  1  0.26938344  0.26938344  0.73061656  1.0
  B  B27  1  0.73061656  0.26938344  0.73061656  1.0
  B  B28  1  0.26938344  0.73061656  0.73061656  1.0