# generated using pymatgen
data_Sc4Co19P12Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57705898
_cell_length_b   10.09044415
_cell_length_c   11.53896569
_cell_angle_alpha   90.10628508
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Co19P12Ru
_chemical_formula_sum   'Sc4 Co19 P12 Ru1'
_cell_volume   416.48802510
_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  0.58037354  0.70194448  1.0
  Sc  Sc1  1  0.25000000  0.92104208  0.20086688  1.0
  Sc  Sc2  1  0.75000000  0.41852446  0.29816447  1.0
  Sc  Sc3  1  0.75000000  0.08422932  0.79544113  1.0
  Co  Co4  1  0.25000000  0.78531124  0.49060562  1.0
  Co  Co5  1  0.75000000  0.28461987  0.00858730  1.0
  Co  Co6  1  0.75000000  0.21340009  0.50975546  1.0
  Co  Co7  1  0.25000000  0.40596490  0.48541511  1.0
  Co  Co8  1  0.25000000  0.09346789  0.98489541  1.0
  Co  Co9  1  0.75000000  0.59249061  0.51455318  1.0
  Co  Co10  1  0.75000000  0.90961037  0.01318585  1.0
  Co  Co11  1  0.25000000  0.22123997  0.17595392  1.0
  Co  Co12  1  0.25000000  0.27693988  0.67535368  1.0
  Co  Co13  1  0.75000000  0.77828351  0.82382840  1.0
  Co  Co14  1  0.75000000  0.72347400  0.32438004  1.0
  Co  Co15  1  0.25000000  0.88194609  0.69988351  1.0
  Co  Co16  1  0.25000000  0.61415269  0.20333936  1.0
  Co  Co17  1  0.75000000  0.11691992  0.30074476  1.0
  Co  Co18  1  0.75000000  0.38305576  0.79910191  1.0
  Co  Co19  1  0.25000000  0.46334712  0.93257410  1.0
  Co  Co20  1  0.25000000  0.03446355  0.43245027  1.0
  Co  Co21  1  0.75000000  0.53467164  0.06995847  1.0
  Co  Co22  1  0.75000000  0.96454400  0.56823389  1.0
  P  P23  1  0.25000000  0.41897952  0.11644094  1.0
  P  P24  1  0.25000000  0.07908868  0.61564484  1.0
  P  P25  1  0.75000000  0.57784978  0.88378214  1.0
  P  P26  1  0.75000000  0.92128558  0.38411878  1.0
  P  P27  1  0.25000000  0.26584526  0.86568293  1.0
  P  P28  1  0.25000000  0.23389517  0.36633039  1.0
  P  P29  1  0.75000000  0.73461906  0.13588517  1.0
  P  P30  1  0.75000000  0.76482486  0.63281680  1.0
  P  P31  1  0.25000000  0.59770565  0.39224645  1.0
  P  P32  1  0.25000000  0.90747282  0.88748498  1.0
  P  P33  1  0.75000000  0.40058359  0.60900562  1.0
  P  P34  1  0.75000000  0.10030525  0.11004693  1.0
  Ru  Ru35  1  0.25000000  0.71547129  0.99129784  1.0