# generated using pymatgen
data_Sc2Ni11P7Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98543486
_cell_length_b   8.94523933
_cell_length_c   3.58672771
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.24811131
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ni11P7Ru
_chemical_formula_sum   'Sc2 Ni11 P7 Ru1'
_cell_volume   249.03986486
_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  0.00266144  0.00312375  0.00000000  1.0
  Sc  Sc1  1  0.66622625  0.33124619  0.50000000  1.0
  Ni  Ni2  1  0.39604765  0.29345102  0.00000000  1.0
  Ni  Ni3  1  0.89338107  0.60270538  0.00000000  1.0
  Ni  Ni4  1  0.70731915  0.10500669  0.00000000  1.0
  Ni  Ni5  1  0.61717595  0.78720024  0.00000000  1.0
  Ni  Ni6  1  0.18052323  0.39620015  0.00000000  1.0
  Ni  Ni7  1  0.20595669  0.82185584  0.00000000  1.0
  Ni  Ni8  1  0.77069108  0.71953804  0.50000000  1.0
  Ni  Ni9  1  0.94979867  0.23203800  0.50000000  1.0
  Ni  Ni10  1  0.28090376  0.05278060  0.50000000  1.0
  Ni  Ni11  1  0.43464814  0.53521320  0.50000000  1.0
  Ni  Ni12  1  0.09998609  0.56665074  0.50000000  1.0
  P  P13  1  0.62714891  0.54652609  0.00000000  1.0
  P  P14  1  0.92262573  0.37503275  0.00000000  1.0
  P  P15  1  0.44929826  0.07844272  0.00000000  1.0
  P  P16  1  0.74805785  0.96090366  0.50000000  1.0
  P  P17  1  0.21482038  0.25806971  0.50000000  1.0
  P  P18  1  0.04122440  0.78538223  0.50000000  1.0
  P  P19  1  0.33630665  0.67172987  0.00000000  1.0
  Ru  Ru20  1  0.45519766  0.87690115  0.50000000  1.0