# generated using pymatgen
data_ThCo3P3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81433096
_cell_length_b   10.52576089
_cell_length_c   12.01277035
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCo3P3Ru2
_chemical_formula_sum   'Th4 Co12 P12 Ru8'
_cell_volume   482.29754140
_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
  Th  Th0  1  0.25000000  0.58335569  0.70676570  1.0
  Th  Th1  1  0.25000000  0.91664431  0.20676570  1.0
  Th  Th2  1  0.75000000  0.41664431  0.29323430  1.0
  Th  Th3  1  0.75000000  0.08335569  0.79323430  1.0
  Co  Co4  1  0.25000000  0.22722359  0.17526803  1.0
  Co  Co5  1  0.25000000  0.27277641  0.67526803  1.0
  Co  Co6  1  0.75000000  0.77277641  0.82473197  1.0
  Co  Co7  1  0.75000000  0.72722359  0.32473197  1.0
  Co  Co8  1  0.25000000  0.88318629  0.70026830  1.0
  Co  Co9  1  0.25000000  0.61681371  0.20026830  1.0
  Co  Co10  1  0.75000000  0.11681371  0.29973170  1.0
  Co  Co11  1  0.75000000  0.38318629  0.79973170  1.0
  Co  Co12  1  0.25000000  0.46475823  0.93350932  1.0
  Co  Co13  1  0.25000000  0.03524177  0.43350932  1.0
  Co  Co14  1  0.75000000  0.53524177  0.06649068  1.0
  Co  Co15  1  0.75000000  0.96475823  0.56649068  1.0
  P  P16  1  0.25000000  0.42346595  0.10911986  1.0
  P  P17  1  0.25000000  0.07653405  0.60911986  1.0
  P  P18  1  0.75000000  0.57653405  0.89088014  1.0
  P  P19  1  0.75000000  0.92346595  0.39088014  1.0
  P  P20  1  0.25000000  0.27938828  0.86253963  1.0
  P  P21  1  0.25000000  0.22061172  0.36253963  1.0
  P  P22  1  0.75000000  0.72061172  0.13746037  1.0
  P  P23  1  0.75000000  0.77938828  0.63746037  1.0
  P  P24  1  0.25000000  0.60714747  0.38935569  1.0
  P  P25  1  0.25000000  0.89285253  0.88935569  1.0
  P  P26  1  0.75000000  0.39285253  0.61064431  1.0
  P  P27  1  0.75000000  0.10714747  0.11064431  1.0
  Ru  Ru28  1  0.25000000  0.70360926  0.98621657  1.0
  Ru  Ru29  1  0.25000000  0.79639074  0.48621657  1.0
  Ru  Ru30  1  0.75000000  0.29639074  0.01378343  1.0
  Ru  Ru31  1  0.75000000  0.20360926  0.51378343  1.0
  Ru  Ru32  1  0.25000000  0.40092657  0.48526775  1.0
  Ru  Ru33  1  0.25000000  0.09907343  0.98526775  1.0
  Ru  Ru34  1  0.75000000  0.59907343  0.51473225  1.0
  Ru  Ru35  1  0.75000000  0.90092657  0.01473225  1.0