# generated using pymatgen
data_SmTiP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33310874
_cell_length_b   9.33310729
_cell_length_c   3.89260599
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000075
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTiP7Ru12
_chemical_formula_sum   'Sm1 Ti1 P7 Ru12'
_cell_volume   293.64570962
_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
  Ti  Ti1  1  0.66666700  0.33333300  0.50000000  1.0
  P  P2  1  0.60249487  0.71973897  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.28026103  0.88275490  0.50000000  1.0
  P  P5  1  0.11724510  0.39750513  0.50000000  1.0
  P  P6  1  0.88486461  0.56966027  0.00000000  1.0
  P  P7  1  0.43033973  0.31520434  0.00000000  1.0
  P  P8  1  0.68479566  0.11513539  0.00000000  1.0
  Ru  Ru9  1  0.55946397  0.95900288  0.50000000  1.0
  Ru  Ru10  1  0.39953891  0.44053603  0.50000000  1.0
  Ru  Ru11  1  0.91477332  0.12056699  0.50000000  1.0
  Ru  Ru12  1  0.20579367  0.08522668  0.50000000  1.0
  Ru  Ru13  1  0.87943301  0.79420633  0.50000000  1.0
  Ru  Ru14  1  0.72640100  0.89017363  0.00000000  1.0
  Ru  Ru15  1  0.10982637  0.83622737  0.00000000  1.0
  Ru  Ru16  1  0.16377263  0.27359900  0.00000000  1.0
  Ru  Ru17  1  0.42782620  0.07717210  0.00000000  1.0
  Ru  Ru18  1  0.92282790  0.35065510  0.00000000  1.0
  Ru  Ru19  1  0.64934490  0.57217380  0.00000000  1.0
  Ru  Ru20  1  0.04099712  0.60046109  0.50000000  1.0