# generated using pymatgen
data_NdScP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.35809145
_cell_length_b   9.35809063
_cell_length_c   3.91910202
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999504
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdScP7Ru12
_chemical_formula_sum   'Nd1 Sc1 P7 Ru12'
_cell_volume   297.22939297
_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
  Nd  Nd0  1  0.33333300  0.66666700  0.00000000  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.50000000  1.0
  P  P2  1  0.60492888  0.71881604  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.28118396  0.88611284  0.50000000  1.0
  P  P5  1  0.11388716  0.39507112  0.50000000  1.0
  P  P6  1  0.88490705  0.57021234  0.00000000  1.0
  P  P7  1  0.42978766  0.31469471  0.00000000  1.0
  P  P8  1  0.68530529  0.11509295  0.00000000  1.0
  Ru  Ru9  1  0.55989004  0.95692422  0.50000000  1.0
  Ru  Ru10  1  0.39703618  0.44010996  0.50000000  1.0
  Ru  Ru11  1  0.91462223  0.11931113  0.50000000  1.0
  Ru  Ru12  1  0.20468889  0.08537777  0.50000000  1.0
  Ru  Ru13  1  0.88068887  0.79531111  0.50000000  1.0
  Ru  Ru14  1  0.72781963  0.89144537  0.00000000  1.0
  Ru  Ru15  1  0.10855463  0.83637326  0.00000000  1.0
  Ru  Ru16  1  0.16362674  0.27218037  0.00000000  1.0
  Ru  Ru17  1  0.42427733  0.07203852  0.00000000  1.0
  Ru  Ru18  1  0.92796148  0.35224081  0.00000000  1.0
  Ru  Ru19  1  0.64775919  0.57572267  0.00000000  1.0
  Ru  Ru20  1  0.04307578  0.60296382  0.50000000  1.0