# generated using pymatgen
data_Th2Ni17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29184346
_cell_length_b   8.29184206
_cell_length_c   7.99042350
_cell_angle_alpha   89.99998669
_cell_angle_beta   90.00001331
_cell_angle_gamma   120.00000697
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Ni17
_chemical_formula_sum   'Th4 Ni34'
_cell_volume   475.77598307
_cell_formula_units_Z   2
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
  Th  Th0  1  0.00000000  -0.00000000  0.25000433  1.0
  Th  Th1  1  -0.00000000  0.00000000  0.74999563  1.0
  Th  Th2  1  0.33333400  0.66666800  0.74995078  1.0
  Th  Th3  1  0.66666600  0.33333200  0.25004962  1.0
  Ni  Ni4  1  0.33333400  0.66666800  0.10320421  1.0
  Ni  Ni5  1  0.66666600  0.33333200  0.60333311  1.0
  Ni  Ni6  1  0.66666600  0.33333300  0.89678101  1.0
  Ni  Ni7  1  0.33333400  0.66666800  0.39668192  1.0
  Ni  Ni8  1  0.50000608  0.00001217  -0.00001918  1.0
  Ni  Ni9  1  0.50000589  0.49999411  0.50001936  1.0
  Ni  Ni10  1  -0.00001178  0.49999411  0.50001936  1.0
  Ni  Ni11  1  -0.00001217  0.49999392  -0.00001918  1.0
  Ni  Ni12  1  0.50000608  0.49999392  -0.00001918  1.0
  Ni  Ni13  1  0.50000589  0.00001178  0.50001936  1.0
  Ni  Ni14  1  0.32827928  0.95409670  0.25002651  1.0
  Ni  Ni15  1  0.37418536  0.32825129  0.74997333  1.0
  Ni  Ni16  1  0.95406393  0.62581564  0.74997333  1.0
  Ni  Ni17  1  0.04590330  0.37417958  0.25002651  1.0
  Ni  Ni18  1  0.62581942  0.67172072  0.25002651  1.0
  Ni  Ni19  1  0.37418536  0.04593507  0.74997333  1.0
  Ni  Ni20  1  0.67174971  0.62581464  0.74997333  1.0
  Ni  Ni21  1  0.67174871  0.04593607  0.74997333  1.0
  Ni  Ni22  1  0.95406393  0.32824829  0.74997333  1.0
  Ni  Ni23  1  0.04590330  0.67172372  0.25002651  1.0
  Ni  Ni24  1  0.62581942  0.95409770  0.25002651  1.0
  Ni  Ni25  1  0.32827928  0.37418058  0.25002651  1.0
  Ni  Ni26  1  0.16581995  0.33163791  0.98089485  1.0
  Ni  Ni27  1  0.83415650  0.16584150  0.48099102  1.0
  Ni  Ni28  1  0.33168400  0.16584250  0.48099102  1.0
  Ni  Ni29  1  0.66836109  0.83418005  0.98089485  1.0
  Ni  Ni30  1  0.16581995  0.83418105  0.98089485  1.0
  Ni  Ni31  1  0.83416789  0.66833778  0.01903604  1.0
  Ni  Ni32  1  0.83416789  0.16583011  0.01903604  1.0
  Ni  Ni33  1  0.83415650  0.66831600  0.48099102  1.0
  Ni  Ni34  1  0.33166222  0.16583211  0.01903604  1.0
  Ni  Ni35  1  0.66833999  0.83416999  0.51907934  1.0
  Ni  Ni36  1  0.16583101  0.33165901  0.51907934  1.0
  Ni  Ni37  1  0.16583101  0.83417099  0.51907934  1.0