# generated using pymatgen
data_NdTiP7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34560335
_cell_length_b   9.34560217
_cell_length_c   3.89595393
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000325
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTiP7Ru12
_chemical_formula_sum   'Nd1 Ti1 P7 Ru12'
_cell_volume   294.68570210
_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
  Ti  Ti1  1  0.66666700  0.33333300  0.50000000  1.0
  P  P2  1  0.60415114  0.71961041  0.50000000  1.0
  P  P3  1  0.00000000  0.00000000  0.00000000  1.0
  P  P4  1  0.28038959  0.88454073  0.50000000  1.0
  P  P5  1  0.11545927  0.39584886  0.50000000  1.0
  P  P6  1  0.88509313  0.56919816  0.00000000  1.0
  P  P7  1  0.43080184  0.31589497  0.00000000  1.0
  P  P8  1  0.68410503  0.11490687  0.00000000  1.0
  Ru  Ru9  1  0.56062024  0.96082750  0.50000000  1.0
  Ru  Ru10  1  0.40020626  0.43937976  0.50000000  1.0
  Ru  Ru11  1  0.91470967  0.11993139  0.50000000  1.0
  Ru  Ru12  1  0.20522172  0.08529033  0.50000000  1.0
  Ru  Ru13  1  0.88006861  0.79477828  0.50000000  1.0
  Ru  Ru14  1  0.72673136  0.89025803  0.00000000  1.0
  Ru  Ru15  1  0.10974197  0.83647233  0.00000000  1.0
  Ru  Ru16  1  0.16352767  0.27326864  0.00000000  1.0
  Ru  Ru17  1  0.42747022  0.07775525  0.00000000  1.0
  Ru  Ru18  1  0.92224475  0.34971596  0.00000000  1.0
  Ru  Ru19  1  0.65028404  0.57252978  0.00000000  1.0
  Ru  Ru20  1  0.03917250  0.59979374  0.50000000  1.0