# generated using pymatgen
data_NbPRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72629767
_cell_length_b   6.36458974
_cell_length_c   7.18098541
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPRu
_chemical_formula_sum   'Nb4 P4 Ru4'
_cell_volume   170.30680583
_cell_formula_units_Z   4
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
  Nb  Nb0  1  0.75000000  0.47598601  0.67185515  1.0
  Nb  Nb1  1  0.75000000  0.97598601  0.82814485  1.0
  Nb  Nb2  1  0.25000000  0.52401399  0.32814485  1.0
  Nb  Nb3  1  0.25000000  0.02401399  0.17185515  1.0
  P  P4  1  0.75000000  0.22919828  0.37596710  1.0
  P  P5  1  0.75000000  0.72919828  0.12403290  1.0
  P  P6  1  0.25000000  0.77080172  0.62403290  1.0
  P  P7  1  0.25000000  0.27080172  0.87596710  1.0
  Ru  Ru8  1  0.75000000  0.35536716  0.06243995  1.0
  Ru  Ru9  1  0.75000000  0.85536716  0.43756005  1.0
  Ru  Ru10  1  0.25000000  0.64463284  0.93756005  1.0
  Ru  Ru11  1  0.25000000  0.14463284  0.56243995  1.0