# generated using pymatgen
data_Ti4P4Ir3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72314124
_cell_length_b   6.26495730
_cell_length_c   7.12030252
_cell_angle_alpha   90.24695318
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4P4Ir3Ru
_chemical_formula_sum   'Ti4 P4 Ir3 Ru1'
_cell_volume   166.08179852
_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  0.75000000  0.52778740  0.32615305  1.0
  Ti  Ti1  1  0.25000000  0.97265208  0.82548454  1.0
  Ti  Ti2  1  0.75000000  0.02471183  0.17284125  1.0
  Ti  Ti3  1  0.25000000  0.47682089  0.67389700  1.0
  P  P4  1  0.25000000  0.73888606  0.11835713  1.0
  P  P5  1  0.25000000  0.24200556  0.37692462  1.0
  P  P6  1  0.75000000  0.26390932  0.87632642  1.0
  P  P7  1  0.75000000  0.75909330  0.62859316  1.0
  Ir  Ir8  1  0.25000000  0.34870017  0.06475172  1.0
  Ir  Ir9  1  0.25000000  0.85204327  0.43325406  1.0
  Ir  Ir10  1  0.75000000  0.14815815  0.56386143  1.0
  Ru  Ru11  1  0.75000000  0.64523295  0.93955661  1.0