# generated using pymatgen
data_SmScP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34650502
_cell_length_b   9.34650427
_cell_length_c   3.91646714
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999828
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmScP7Ru12
_chemical_formula_sum   'Sm1 Sc1 P7 Ru12'
_cell_volume   296.29449227
_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
  Sc  Sc1  1  0.66666700  0.33333300  0.50000000  1.0
  P  P2  1  0.60348952  0.71866744  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.28133256  0.88482208  0.50000000  1.0
  P  P5  1  0.11517792  0.39651048  0.50000000  1.0
  P  P6  1  0.88418642  0.57021755  0.00000000  1.0
  P  P7  1  0.42978245  0.31396988  0.00000000  1.0
  P  P8  1  0.68603012  0.11581358  0.00000000  1.0
  Ru  Ru9  1  0.55882892  0.95502411  0.50000000  1.0
  Ru  Ru10  1  0.39619519  0.44117108  0.50000000  1.0
  Ru  Ru11  1  0.91489442  0.11990297  0.50000000  1.0
  Ru  Ru12  1  0.20500856  0.08510558  0.50000000  1.0
  Ru  Ru13  1  0.88009703  0.79499144  0.50000000  1.0
  Ru  Ru14  1  0.72763733  0.89199924  0.00000000  1.0
  Ru  Ru15  1  0.10800076  0.83563709  0.00000000  1.0
  Ru  Ru16  1  0.16436291  0.27236267  0.00000000  1.0
  Ru  Ru17  1  0.42458455  0.07123976  0.00000000  1.0
  Ru  Ru18  1  0.92876024  0.35334579  0.00000000  1.0
  Ru  Ru19  1  0.64665421  0.57541545  0.00000000  1.0
  Ru  Ru20  1  0.04497589  0.60380481  0.50000000  1.0