# generated using pymatgen
data_TcPRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89119709
_cell_length_b   5.92876435
_cell_length_c   6.83619703
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPRu
_chemical_formula_sum   'Tc4 P4 Ru4'
_cell_volume   157.71100123
_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
  Tc  Tc0  1  0.25000000  0.02507678  0.15956151  1.0
  Tc  Tc1  1  0.25000000  0.52507678  0.34043849  1.0
  Tc  Tc2  1  0.75000000  0.97492322  0.84043849  1.0
  Tc  Tc3  1  0.75000000  0.47492322  0.65956151  1.0
  P  P4  1  0.25000000  0.75279800  0.61110074  1.0
  P  P5  1  0.25000000  0.25279800  0.88889926  1.0
  P  P6  1  0.75000000  0.24720200  0.38889926  1.0
  P  P7  1  0.75000000  0.74720200  0.11110074  1.0
  Ru  Ru8  1  0.25000000  0.13967379  0.57347214  1.0
  Ru  Ru9  1  0.25000000  0.63967379  0.92652786  1.0
  Ru  Ru10  1  0.75000000  0.86032621  0.42652786  1.0
  Ru  Ru11  1  0.75000000  0.36032621  0.07347214  1.0