# generated using pymatgen
data_ScPa3(SiNi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09225156
_cell_length_b   7.01550810
_cell_length_c   6.93168832
_cell_angle_alpha   90.99757728
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPa3(SiNi)4
_chemical_formula_sum   'Sc1 Pa3 Si4 Ni4'
_cell_volume   198.97323000
_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
  Sc  Sc0  1  0.25000000  0.49140039  0.71744432  1.0
  Pa  Pa1  1  0.75000000  0.01701768  0.20892507  1.0
  Pa  Pa2  1  0.25000000  0.98915937  0.78639071  1.0
  Pa  Pa3  1  0.75000000  0.51037687  0.29557190  1.0
  Si  Si4  1  0.25000000  0.29755846  0.08162395  1.0
  Si  Si5  1  0.75000000  0.70511001  0.90569339  1.0
  Si  Si6  1  0.25000000  0.79734373  0.40727062  1.0
  Si  Si7  1  0.75000000  0.21769379  0.59877395  1.0
  Ni  Ni8  1  0.25000000  0.68242937  0.08064183  1.0
  Ni  Ni9  1  0.75000000  0.30892136  0.92352903  1.0
  Ni  Ni10  1  0.25000000  0.21094795  0.41871069  1.0
  Ni  Ni11  1  0.75000000  0.77204102  0.57542455  1.0