# generated using pymatgen
data_Ti3Fe4P4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60300260
_cell_length_b   5.91917104
_cell_length_c   6.71585300
_cell_angle_alpha   89.36039347
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Fe4P4Ru
_chemical_formula_sum   'Ti3 Fe4 P4 Ru1'
_cell_volume   143.21865325
_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  0.51843788  0.68587809  1.0
  Ti  Ti1  1  0.75000000  0.98165237  0.17373833  1.0
  Ti  Ti2  1  0.75000000  0.47499451  0.31893039  1.0
  Fe  Fe3  1  0.25000000  0.14435343  0.43727280  1.0
  Fe  Fe4  1  0.25000000  0.64484674  0.06213467  1.0
  Fe  Fe5  1  0.75000000  0.85371236  0.56080707  1.0
  Fe  Fe6  1  0.75000000  0.35711714  0.93432802  1.0
  P  P7  1  0.25000000  0.77151682  0.37672950  1.0
  P  P8  1  0.25000000  0.27602139  0.11226930  1.0
  P  P9  1  0.75000000  0.21812923  0.62741087  1.0
  P  P10  1  0.75000000  0.72990148  0.87779637  1.0
  Ru  Ru11  1  0.25000000  0.02931866  0.83270259  1.0