# generated using pymatgen
data_Sc2Ni2P3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68381434
_cell_length_b   10.10704525
_cell_length_c   12.30824723
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ni2P3Ru
_chemical_formula_sum   'Sc8 Ni8 P12 Ru4'
_cell_volume   458.26654719
_cell_formula_units_Z   4
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  0.34605693  0.99575960  1.0
  Sc  Sc1  1  0.25000000  0.15394307  0.49575960  1.0
  Sc  Sc2  1  0.75000000  0.65394307  0.00424040  1.0
  Sc  Sc3  1  0.75000000  0.84605693  0.50424040  1.0
  Sc  Sc4  1  0.25000000  0.43023358  0.71161682  1.0
  Sc  Sc5  1  0.25000000  0.06976642  0.21161682  1.0
  Sc  Sc6  1  0.75000000  0.56976642  0.28838318  1.0
  Sc  Sc7  1  0.75000000  0.93023358  0.78838318  1.0
  Ni  Ni8  1  0.25000000  0.13409846  0.71753433  1.0
  Ni  Ni9  1  0.25000000  0.36590154  0.21753433  1.0
  Ni  Ni10  1  0.75000000  0.86590154  0.28246567  1.0
  Ni  Ni11  1  0.75000000  0.63409846  0.78246567  1.0
  Ni  Ni12  1  0.25000000  0.76958051  0.16822518  1.0
  Ni  Ni13  1  0.25000000  0.73041949  0.66822518  1.0
  Ni  Ni14  1  0.75000000  0.23041949  0.83177482  1.0
  Ni  Ni15  1  0.75000000  0.26958051  0.33177482  1.0
  P  P16  1  0.25000000  0.10520390  0.89750696  1.0
  P  P17  1  0.25000000  0.39479610  0.39750696  1.0
  P  P18  1  0.75000000  0.89479610  0.10249304  1.0
  P  P19  1  0.75000000  0.60520390  0.60249304  1.0
  P  P20  1  0.25000000  0.73580910  0.84888856  1.0
  P  P21  1  0.25000000  0.76419090  0.34888856  1.0
  P  P22  1  0.75000000  0.26419090  0.15111144  1.0
  P  P23  1  0.75000000  0.23580910  0.65111144  1.0
  P  P24  1  0.25000000  0.55476229  0.12938856  1.0
  P  P25  1  0.25000000  0.94523771  0.62938856  1.0
  P  P26  1  0.75000000  0.44523771  0.87061144  1.0
  P  P27  1  0.75000000  0.05476229  0.37061144  1.0
  Ru  Ru28  1  0.25000000  0.89705060  0.98047469  1.0
  Ru  Ru29  1  0.25000000  0.60294940  0.48047469  1.0
  Ru  Ru30  1  0.75000000  0.10294940  0.01952531  1.0
  Ru  Ru31  1  0.75000000  0.39705060  0.51952531  1.0