# generated using pymatgen
data_Ti2P2IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73193981
_cell_length_b   6.24714006
_cell_length_c   7.09923056
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2P2IrRu
_chemical_formula_sum   'Ti4 P4 Ir2 Ru2'
_cell_volume   165.51111124
_cell_formula_units_Z   2
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  0.52589429  0.32561483  1.0
  Ti  Ti1  1  0.25000000  0.97613474  0.82483767  1.0
  Ti  Ti2  1  0.75000000  0.02589429  0.17438517  1.0
  Ti  Ti3  1  0.25000000  0.47613474  0.67516233  1.0
  P  P4  1  0.25000000  0.73757001  0.11904214  1.0
  P  P5  1  0.25000000  0.23757001  0.38095786  1.0
  P  P6  1  0.75000000  0.26647211  0.87068057  1.0
  P  P7  1  0.75000000  0.76647211  0.62931943  1.0
  Ir  Ir8  1  0.25000000  0.34590699  0.06425327  1.0
  Ir  Ir9  1  0.25000000  0.84590699  0.43574673  1.0
  Ru  Ru10  1  0.75000000  0.14801985  0.55862774  1.0
  Ru  Ru11  1  0.75000000  0.64801985  0.94137226  1.0