# generated using pymatgen
data_ThCoP3Ru4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88402464
_cell_length_b   10.73209531
_cell_length_c   12.31430530
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThCoP3Ru4
_chemical_formula_sum   'Th4 Co4 P12 Ru16'
_cell_volume   513.30608649
_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  0.58418262  0.70514107  1.0
  Th  Th1  1  0.25000000  0.91581738  0.20514107  1.0
  Th  Th2  1  0.75000000  0.41581738  0.29485893  1.0
  Th  Th3  1  0.75000000  0.08418262  0.79485893  1.0
  Co  Co4  1  0.25000000  0.46426962  0.93743536  1.0
  Co  Co5  1  0.25000000  0.03573038  0.43743536  1.0
  Co  Co6  1  0.75000000  0.53573038  0.06256464  1.0
  Co  Co7  1  0.75000000  0.96426962  0.56256464  1.0
  P  P8  1  0.25000000  0.42286261  0.10639413  1.0
  P  P9  1  0.25000000  0.07713739  0.60639413  1.0
  P  P10  1  0.75000000  0.57713739  0.89360587  1.0
  P  P11  1  0.75000000  0.92286261  0.39360587  1.0
  P  P12  1  0.25000000  0.27822748  0.86947037  1.0
  P  P13  1  0.25000000  0.22177252  0.36947037  1.0
  P  P14  1  0.75000000  0.72177252  0.13052963  1.0
  P  P15  1  0.75000000  0.77822748  0.63052963  1.0
  P  P16  1  0.25000000  0.60445004  0.39400978  1.0
  P  P17  1  0.25000000  0.89554996  0.89400978  1.0
  P  P18  1  0.75000000  0.39554996  0.60599022  1.0
  P  P19  1  0.75000000  0.10445004  0.10599022  1.0
  Ru  Ru20  1  0.25000000  0.70702531  0.98626585  1.0
  Ru  Ru21  1  0.25000000  0.79297469  0.48626585  1.0
  Ru  Ru22  1  0.75000000  0.29297469  0.01373415  1.0
  Ru  Ru23  1  0.75000000  0.20702531  0.51373415  1.0
  Ru  Ru24  1  0.25000000  0.40265254  0.48537624  1.0
  Ru  Ru25  1  0.25000000  0.09734746  0.98537624  1.0
  Ru  Ru26  1  0.75000000  0.59734746  0.51462376  1.0
  Ru  Ru27  1  0.75000000  0.90265254  0.01462376  1.0
  Ru  Ru28  1  0.25000000  0.22767057  0.17642986  1.0
  Ru  Ru29  1  0.25000000  0.27232943  0.67642986  1.0
  Ru  Ru30  1  0.75000000  0.77232943  0.82357014  1.0
  Ru  Ru31  1  0.75000000  0.72767057  0.32357014  1.0
  Ru  Ru32  1  0.25000000  0.88924519  0.69797773  1.0
  Ru  Ru33  1  0.25000000  0.61075481  0.19797773  1.0
  Ru  Ru34  1  0.75000000  0.11075481  0.30202227  1.0
  Ru  Ru35  1  0.75000000  0.38924519  0.80202227  1.0