# generated using pymatgen
data_Ti3Mo(PRu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74304952
_cell_length_b   6.18781631
_cell_length_c   7.06262009
_cell_angle_alpha   89.82007352
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Mo(PRu)4
_chemical_formula_sum   'Ti3 Mo1 P4 Ru4'
_cell_volume   163.57867631
_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  0.02530368  0.18090777  1.0
  Ti  Ti1  1  0.25000000  0.52397760  0.32523295  1.0
  Ti  Ti2  1  0.75000000  0.97259571  0.81950972  1.0
  Mo  Mo3  1  0.75000000  0.47860856  0.66882915  1.0
  P  P4  1  0.25000000  0.76591018  0.62447244  1.0
  P  P5  1  0.25000000  0.27375706  0.87313716  1.0
  P  P6  1  0.75000000  0.23555796  0.38146517  1.0
  P  P7  1  0.75000000  0.73045401  0.12426801  1.0
  Ru  Ru8  1  0.25000000  0.14408507  0.56648345  1.0
  Ru  Ru9  1  0.25000000  0.65237028  0.94164108  1.0
  Ru  Ru10  1  0.75000000  0.85099050  0.43586000  1.0
  Ru  Ru11  1  0.75000000  0.34639040  0.05819410  1.0