# generated using pymatgen
data_ThZrP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37702327
_cell_length_b   9.37702337
_cell_length_c   3.91449534
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999618
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThZrP7Ru12
_chemical_formula_sum   'Th1 Zr1 P7 Ru12'
_cell_volume   298.08245981
_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
  Zr  Zr1  1  0.66666700  0.33333300  0.50000000  1.0
  P  P2  1  0.60554248  0.71773152  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.28226848  0.88781196  0.50000000  1.0
  P  P5  1  0.11218804  0.39445752  0.50000000  1.0
  P  P6  1  0.88615112  0.57145560  0.00000000  1.0
  P  P7  1  0.42854440  0.31469552  0.00000000  1.0
  P  P8  1  0.68530448  0.11384888  0.00000000  1.0
  Ru  Ru9  1  0.55839280  0.95406803  0.50000000  1.0
  Ru  Ru10  1  0.39567624  0.44160720  0.50000000  1.0
  Ru  Ru11  1  0.91352719  0.12063378  0.50000000  1.0
  Ru  Ru12  1  0.20710758  0.08647281  0.50000000  1.0
  Ru  Ru13  1  0.87936622  0.79289242  0.50000000  1.0
  Ru  Ru14  1  0.72712064  0.89081348  0.00000000  1.0
  Ru  Ru15  1  0.10918652  0.83630716  0.00000000  1.0
  Ru  Ru16  1  0.16369284  0.27287936  0.00000000  1.0
  Ru  Ru17  1  0.42756263  0.07590231  0.00000000  1.0
  Ru  Ru18  1  0.92409769  0.35166032  0.00000000  1.0
  Ru  Ru19  1  0.64833968  0.57243737  0.00000000  1.0
  Ru  Ru20  1  0.04593197  0.60432376  0.50000000  1.0