# generated using pymatgen
data_ThScP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37597658
_cell_length_b   9.37597590
_cell_length_c   3.91839258
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999805
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThScP7Ru12
_chemical_formula_sum   'Th1 Sc1 P7 Ru12'
_cell_volume   298.31258905
_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
  Th  Th0  1  0.33333300  0.66666700  0.00000000  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.50000000  1.0
  P  P2  1  0.60694856  0.71796087  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.28203913  0.88898769  0.50000000  1.0
  P  P5  1  0.11101231  0.39305144  0.50000000  1.0
  P  P6  1  0.88410200  0.56924425  0.00000000  1.0
  P  P7  1  0.43075575  0.31485775  0.00000000  1.0
  P  P8  1  0.68514225  0.11589800  0.00000000  1.0
  Ru  Ru9  1  0.55707904  0.95222318  0.50000000  1.0
  Ru  Ru10  1  0.39514514  0.44292096  0.50000000  1.0
  Ru  Ru11  1  0.91423848  0.11899836  0.50000000  1.0
  Ru  Ru12  1  0.20475988  0.08576152  0.50000000  1.0
  Ru  Ru13  1  0.88100164  0.79524012  0.50000000  1.0
  Ru  Ru14  1  0.72727339  0.89237163  0.00000000  1.0
  Ru  Ru15  1  0.10762837  0.83490076  0.00000000  1.0
  Ru  Ru16  1  0.16509924  0.27272661  0.00000000  1.0
  Ru  Ru17  1  0.42556624  0.07321866  0.00000000  1.0
  Ru  Ru18  1  0.92678134  0.35234759  0.00000000  1.0
  Ru  Ru19  1  0.64765241  0.57443376  0.00000000  1.0
  Ru  Ru20  1  0.04777682  0.60485486  0.50000000  1.0