# generated using pymatgen
data_TaNi21B6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39773504
_cell_length_b   7.39777517
_cell_length_c   7.39775568
_cell_angle_alpha   60.00350965
_cell_angle_beta   60.00377878
_cell_angle_gamma   60.00357625
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNi21B6Sb
_chemical_formula_sum   'Ta1 Ni21 B6 Sb1'
_cell_volume   286.29947040
_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  0.24997605  0.25001257  0.24999422  1.0
  Ni  Ni1  1  0.99999207  0.00001944  0.99997428  1.0
  Ni  Ni2  1  0.61612493  0.61613785  0.15161359  1.0
  Ni  Ni3  1  0.61611141  0.15162255  0.61614496  1.0
  Ni  Ni4  1  0.15162082  0.61611589  0.61613528  1.0
  Ni  Ni5  1  0.61612157  0.61612266  0.61612997  1.0
  Ni  Ni6  1  0.38467009  0.38463493  0.84604976  1.0
  Ni  Ni7  1  0.38467345  0.84604550  0.38464636  1.0
  Ni  Ni8  1  0.84604420  0.38465580  0.38466317  1.0
  Ni  Ni9  1  0.38465828  0.38463780  0.38466070  1.0
  Ni  Ni10  1  0.00344100  0.00344328  0.33525955  1.0
  Ni  Ni11  1  0.65783615  0.00344294  0.33525831  1.0
  Ni  Ni12  1  0.00343112  0.65785529  0.33526599  1.0
  Ni  Ni13  1  0.65786278  0.33525268  0.00342988  1.0
  Ni  Ni14  1  0.00343973  0.33525873  0.00342565  1.0
  Ni  Ni15  1  0.00343797  0.33523741  0.65787542  1.0
  Ni  Ni16  1  0.33528227  0.65785755  0.00342397  1.0
  Ni  Ni17  1  0.33525831  0.00344566  0.65785309  1.0
  Ni  Ni18  1  0.33528399  0.00344141  0.00342462  1.0
  Ni  Ni19  1  0.00343316  0.00345314  0.65788339  1.0
  Ni  Ni20  1  0.00342622  0.65788019  0.00343515  1.0
  Ni  Ni21  1  0.65786168  0.00344774  0.00343531  1.0
  B  B22  1  0.72986872  0.72985312  0.27013823  1.0
  B  B23  1  0.27013662  0.72986231  0.27013724  1.0
  B  B24  1  0.72987220  0.27013646  0.27013343  1.0
  B  B25  1  0.27013309  0.27013715  0.72986926  1.0
  B  B26  1  0.72986739  0.27013641  0.72986206  1.0
  B  B27  1  0.27013207  0.72986148  0.72987119  1.0
  Sb  Sb28  1  0.75000566  0.74999506  0.75000897  1.0