# generated using pymatgen
data_ThTiP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.36243399
_cell_length_b   9.36243243
_cell_length_c   3.89580167
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000115
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThTiP7Ru12
_chemical_formula_sum   'Th1 Ti1 P7 Ru12'
_cell_volume   295.73650157
_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
  Ti  Ti1  1  0.66666700  0.33333300  0.50000000  1.0
  P  P2  1  0.60589542  0.71822387  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.28177613  0.88767155  0.50000000  1.0
  P  P5  1  0.11232845  0.39410458  0.50000000  1.0
  P  P6  1  0.88473309  0.56912370  0.00000000  1.0
  P  P7  1  0.43087630  0.31560939  0.00000000  1.0
  P  P8  1  0.68439061  0.11526691  0.00000000  1.0
  Ru  Ru9  1  0.55827766  0.95585136  0.50000000  1.0
  Ru  Ru10  1  0.39757369  0.44172234  0.50000000  1.0
  Ru  Ru11  1  0.91368114  0.12002592  0.50000000  1.0
  Ru  Ru12  1  0.20634478  0.08631886  0.50000000  1.0
  Ru  Ru13  1  0.87997408  0.79365522  0.50000000  1.0
  Ru  Ru14  1  0.72607529  0.89035545  0.00000000  1.0
  Ru  Ru15  1  0.10964455  0.83571884  0.00000000  1.0
  Ru  Ru16  1  0.16428116  0.27392471  0.00000000  1.0
  Ru  Ru17  1  0.42881476  0.07847495  0.00000000  1.0
  Ru  Ru18  1  0.92152505  0.35034081  0.00000000  1.0
  Ru  Ru19  1  0.64965919  0.57118524  0.00000000  1.0
  Ru  Ru20  1  0.04414864  0.60242631  0.50000000  1.0