# generated using pymatgen
data_TiNb3(PRu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73325752
_cell_length_b   6.32637426
_cell_length_c   7.15210209
_cell_angle_alpha   90.06224971
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb3(PRu)4
_chemical_formula_sum   'Ti1 Nb3 P4 Ru4'
_cell_volume   168.91813521
_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
  Ti  Ti0  1  0.25000000  0.02469747  0.82284262  1.0
  Nb  Nb1  1  0.25000000  0.52263568  0.67231041  1.0
  Nb  Nb2  1  0.75000000  0.97667907  0.17292838  1.0
  Nb  Nb3  1  0.75000000  0.47513673  0.32781533  1.0
  P  P4  1  0.25000000  0.26984012  0.12148887  1.0
  P  P5  1  0.25000000  0.77242357  0.37654101  1.0
  P  P6  1  0.75000000  0.73372859  0.87696803  1.0
  P  P7  1  0.75000000  0.22604692  0.62681693  1.0
  Ru  Ru8  1  0.25000000  0.14619276  0.43856862  1.0
  Ru  Ru9  1  0.25000000  0.64693338  0.05930576  1.0
  Ru  Ru10  1  0.75000000  0.85498506  0.56505205  1.0
  Ru  Ru11  1  0.75000000  0.35070065  0.93936098  1.0