# generated using pymatgen
data_ScNbP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29153535
_cell_length_b   9.29153501
_cell_length_c   3.86489152
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999679
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNbP7Ru12
_chemical_formula_sum   'Sc1 Nb1 P7 Ru12'
_cell_volume   288.96344460
_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
  Sc  Sc0  1  0.33333300  0.66666700  0.00000000  1.0
  Nb  Nb1  1  0.66666700  0.33333300  0.50000000  1.0
  P  P2  1  0.59474753  0.71873001  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.28126999  0.87601752  0.50000000  1.0
  P  P5  1  0.12398248  0.40525247  0.50000000  1.0
  P  P6  1  0.88659537  0.57486374  0.00000000  1.0
  P  P7  1  0.42513626  0.31173163  0.00000000  1.0
  P  P8  1  0.68826837  0.11340463  0.00000000  1.0
  Ru  Ru9  1  0.55506134  0.95206430  0.50000000  1.0
  Ru  Ru10  1  0.39700296  0.44493866  0.50000000  1.0
  Ru  Ru11  1  0.91371453  0.12474786  0.50000000  1.0
  Ru  Ru12  1  0.21103333  0.08628547  0.50000000  1.0
  Ru  Ru13  1  0.87525214  0.78896667  0.50000000  1.0
  Ru  Ru14  1  0.72478406  0.88738504  0.00000000  1.0
  Ru  Ru15  1  0.11261496  0.83739802  0.00000000  1.0
  Ru  Ru16  1  0.16260198  0.27521594  0.00000000  1.0
  Ru  Ru17  1  0.43178174  0.07784756  0.00000000  1.0
  Ru  Ru18  1  0.92215244  0.35393517  0.00000000  1.0
  Ru  Ru19  1  0.64606483  0.56821826  0.00000000  1.0
  Ru  Ru20  1  0.04793570  0.60299704  0.50000000  1.0