# generated using pymatgen
data_ZrScP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29283944
_cell_length_b   9.29244864
_cell_length_c   3.88958148
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99706727
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScP7Ru12
_chemical_formula_sum   'Zr1 Sc1 P7 Ru12'
_cell_volume   290.88742107
_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
  Zr  Zr0  1  0.33332291  0.66662203  0.00000000  1.0
  Sc  Sc1  1  0.66671671  0.33338139  0.50000000  1.0
  P  P2  1  0.59729433  0.71635881  0.50000000  1.0
  P  P3  1  0.99996009  0.99996206  0.00000000  1.0
  P  P4  1  0.28365980  0.88098107  0.50000000  1.0
  P  P5  1  0.11907418  0.40266173  0.50000000  1.0
  P  P6  1  0.88062463  0.57351245  0.00000000  1.0
  P  P7  1  0.42655393  0.30714789  0.00000000  1.0
  P  P8  1  0.69276845  0.11935531  0.00000000  1.0
  Ru  Ru9  1  0.55233963  0.94237979  0.50000000  1.0
  Ru  Ru10  1  0.39008719  0.44757484  0.50000000  1.0
  Ru  Ru11  1  0.91275799  0.12348912  0.50000000  1.0
  Ru  Ru12  1  0.21078896  0.08726942  0.50000000  1.0
  Ru  Ru13  1  0.87647393  0.78936170  0.50000000  1.0
  Ru  Ru14  1  0.72578794  0.89086130  0.00000000  1.0
  Ru  Ru15  1  0.10916905  0.83498440  0.00000000  1.0
  Ru  Ru16  1  0.16509347  0.27413377  0.00000000  1.0
  Ru  Ru17  1  0.42913375  0.06784965  0.00000000  1.0
  Ru  Ru18  1  0.93215675  0.36132252  0.00000000  1.0
  Ru  Ru19  1  0.63858859  0.57084988  0.00000000  1.0
  Ru  Ru20  1  0.05764673  0.60994185  0.50000000  1.0