# generated using pymatgen
data_Zr6Ni20P13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.39505098
_cell_length_b   12.39508866
_cell_length_c   3.62309184
_cell_angle_alpha   89.99996421
_cell_angle_beta   90.00003711
_cell_angle_gamma   119.99688630
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6Ni20P13
_chemical_formula_sum   'Zr6 Ni20 P13'
_cell_volume   482.08270901
_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
  Zr  Zr0  1  0.80868686  0.28275317  0.50000017  1.0
  Zr  Zr1  1  0.71722683  0.52591546  0.50000000  1.0
  Zr  Zr2  1  0.47406061  0.19131931  0.50000027  1.0
  Zr  Zr3  1  0.19125166  0.71792354  0.00000027  1.0
  Zr  Zr4  1  0.28206297  0.47329545  0.00000021  1.0
  Zr  Zr5  1  0.52667174  0.80874029  0.00000029  1.0
  Ni  Ni6  1  0.41811786  0.97956810  0.00000014  1.0
  Ni  Ni7  1  0.02045764  0.43854631  0.00000019  1.0
  Ni  Ni8  1  0.58548367  0.02082734  0.50000034  1.0
  Ni  Ni9  1  0.56139295  0.58183815  0.00000013  1.0
  Ni  Ni10  1  0.97918106  0.56465256  0.50000033  1.0
  Ni  Ni11  1  0.92150407  0.08152370  0.49999973  1.0
  Ni  Ni12  1  0.16003894  0.07857026  0.49999929  1.0
  Ni  Ni13  1  0.91853315  0.84000769  0.50000038  1.0
  Ni  Ni14  1  0.09375163  0.89539414  1.00000000  1.0
  Ni  Ni15  1  0.80164163  0.90628757  0.99999978  1.0
  Ni  Ni16  1  0.10468232  0.19839404  0.99999971  1.0
  Ni  Ni17  1  0.33332532  0.66663769  0.50000054  1.0
  Ni  Ni18  1  0.66663542  0.33332593  0.00000012  1.0
  Ni  Ni19  1  0.67695397  0.74906062  0.49999979  1.0
  Ni  Ni20  1  0.25092863  0.92792904  0.49999981  1.0
  Ni  Ni21  1  0.92043622  0.67593028  0.99999999  1.0
  Ni  Ni22  1  0.32404619  0.24451563  0.00000032  1.0
  Ni  Ni23  1  0.75550908  0.07957370  0.00000077  1.0
  Ni  Ni24  1  0.43529884  0.41448124  0.50000020  1.0
  Ni  Ni25  1  0.07213179  0.32301293  0.50000030  1.0
  P  P26  1  0.99999974  0.99999685  0.00000021  1.0
  P  P27  1  0.23228180  0.28454226  0.50000000  1.0
  P  P28  1  0.71545765  0.94773839  0.50000024  1.0
  P  P29  1  0.05226553  0.76771698  0.49999998  1.0
  P  P30  1  0.76594023  0.71340213  1.00000000  1.0
  P  P31  1  0.28658959  0.05254080  0.00000009  1.0
  P  P32  1  0.47335925  0.61335585  0.50000034  1.0
  P  P33  1  0.38662972  0.85999916  0.50000019  1.0
  P  P34  1  0.86054377  0.47426295  0.00000014  1.0
  P  P35  1  0.52573164  0.38627670  0.00000018  1.0
  P  P36  1  0.61372579  0.13946534  0.00000021  1.0
  P  P37  1  0.94746311  0.23405035  0.99999512  1.0
  P  P38  1  0.14000112  0.52662510  0.50000021  1.0