# generated using pymatgen
data_Ta3Nb(PRu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71706467
_cell_length_b   6.31981865
_cell_length_c   7.16876966
_cell_angle_alpha   90.00745975
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Nb(PRu)4
_chemical_formula_sum   'Ta3 Nb1 P4 Ru4'
_cell_volume   168.40281846
_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
  Ta  Ta0  1  0.25000000  0.52422051  0.67250999  1.0
  Ta  Ta1  1  0.75000000  0.97594613  0.17159772  1.0
  Ta  Ta2  1  0.75000000  0.47579113  0.32888127  1.0
  Nb  Nb3  1  0.25000000  0.02387234  0.82839722  1.0
  P  P4  1  0.25000000  0.76819284  0.37611323  1.0
  P  P5  1  0.25000000  0.26847585  0.12451041  1.0
  P  P6  1  0.75000000  0.23249587  0.62458508  1.0
  P  P7  1  0.75000000  0.73031693  0.87506716  1.0
  Ru  Ru8  1  0.25000000  0.14575808  0.43516636  1.0
  Ru  Ru9  1  0.25000000  0.64447528  0.06548325  1.0
  Ru  Ru10  1  0.75000000  0.85385061  0.56043667  1.0
  Ru  Ru11  1  0.75000000  0.35660443  0.93725163  1.0