# generated using pymatgen
data_SmHfP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34126943
_cell_length_b   9.34126920
_cell_length_c   3.90751589
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999643
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmHfP7Ru12
_chemical_formula_sum   'Sm1 Hf1 P7 Ru12'
_cell_volume   295.28622442
_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
  Sm  Sm0  1  0.33333300  0.66666700  0.00000000  1.0
  Hf  Hf1  1  0.66666700  0.33333300  0.50000000  1.0
  P  P2  1  0.60233946  0.72028783  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.27971217  0.88205263  0.50000000  1.0
  P  P5  1  0.11794737  0.39766054  0.50000000  1.0
  P  P6  1  0.88545322  0.57067593  0.00000000  1.0
  P  P7  1  0.42932407  0.31477629  0.00000000  1.0
  P  P8  1  0.68522371  0.11454678  0.00000000  1.0
  Ru  Ru9  1  0.55911010  0.95816706  0.50000000  1.0
  Ru  Ru10  1  0.39905795  0.44088990  0.50000000  1.0
  Ru  Ru11  1  0.91510481  0.12117050  0.50000000  1.0
  Ru  Ru12  1  0.20606669  0.08489519  0.50000000  1.0
  Ru  Ru13  1  0.87882950  0.79393331  0.50000000  1.0
  Ru  Ru14  1  0.72680095  0.89093851  0.00000000  1.0
  Ru  Ru15  1  0.10906149  0.83585944  0.00000000  1.0
  Ru  Ru16  1  0.16414056  0.27319905  0.00000000  1.0
  Ru  Ru17  1  0.42723725  0.07595046  0.00000000  1.0
  Ru  Ru18  1  0.92404954  0.35128879  0.00000000  1.0
  Ru  Ru19  1  0.64871121  0.57276275  0.00000000  1.0
  Ru  Ru20  1  0.04183294  0.60094205  0.50000000  1.0