# generated using pymatgen
data_ScCo4P3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62034174
_cell_length_b   10.12379922
_cell_length_c   11.63214761
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCo4P3Ru
_chemical_formula_sum   'Sc4 Co16 P12 Ru4'
_cell_volume   426.33697070
_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  0.58270843  0.70418296  1.0
  Sc  Sc1  1  0.25000000  0.91729157  0.20418296  1.0
  Sc  Sc2  1  0.75000000  0.41729157  0.29581704  1.0
  Sc  Sc3  1  0.75000000  0.08270843  0.79581704  1.0
  Co  Co4  1  0.25000000  0.40844512  0.48496583  1.0
  Co  Co5  1  0.25000000  0.09155488  0.98496583  1.0
  Co  Co6  1  0.75000000  0.59155488  0.51503417  1.0
  Co  Co7  1  0.75000000  0.90844512  0.01503417  1.0
  Co  Co8  1  0.25000000  0.22260230  0.17499377  1.0
  Co  Co9  1  0.25000000  0.27739870  0.67499377  1.0
  Co  Co10  1  0.75000000  0.77739870  0.82500623  1.0
  Co  Co11  1  0.75000000  0.72260130  0.32500623  1.0
  Co  Co12  1  0.25000000  0.88450457  0.70402202  1.0
  Co  Co13  1  0.25000000  0.61549543  0.20402202  1.0
  Co  Co14  1  0.75000000  0.11549543  0.29597798  1.0
  Co  Co15  1  0.75000000  0.38450457  0.79597798  1.0
  Co  Co16  1  0.25000000  0.46385495  0.93090720  1.0
  Co  Co17  1  0.25000000  0.03614505  0.43090720  1.0
  Co  Co18  1  0.75000000  0.53614505  0.06909280  1.0
  Co  Co19  1  0.75000000  0.96385495  0.56909280  1.0
  P  P20  1  0.25000000  0.42221150  0.11585789  1.0
  P  P21  1  0.25000000  0.07778850  0.61585789  1.0
  P  P22  1  0.75000000  0.57778850  0.88414211  1.0
  P  P23  1  0.75000000  0.92221150  0.38414211  1.0
  P  P24  1  0.25000000  0.26550587  0.86300084  1.0
  P  P25  1  0.25000000  0.23449413  0.36300084  1.0
  P  P26  1  0.75000000  0.73449413  0.13699916  1.0
  P  P27  1  0.75000000  0.76550587  0.63699916  1.0
  P  P28  1  0.25000000  0.59501406  0.38928912  1.0
  P  P29  1  0.25000000  0.90498594  0.88928912  1.0
  P  P30  1  0.75000000  0.40498594  0.61071088  1.0
  P  P31  1  0.75000000  0.09501406  0.11071088  1.0
  Ru  Ru32  1  0.25000000  0.71231290  0.99073343  1.0
  Ru  Ru33  1  0.25000000  0.78768710  0.49073343  1.0
  Ru  Ru34  1  0.75000000  0.28768710  0.00926657  1.0
  Ru  Ru35  1  0.75000000  0.21231290  0.50926657  1.0