# generated using pymatgen
data_Ti2FeP2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64898543
_cell_length_b   6.14725797
_cell_length_c   6.95092347
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2FeP2Ir
_chemical_formula_sum   'Ti4 Fe2 P4 Ir2'
_cell_volume   155.91793510
_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  0.25000000  0.02109531  0.82074224  1.0
  Ti  Ti1  1  0.25000000  0.52109531  0.67925776  1.0
  Ti  Ti2  1  0.75000000  0.97663109  0.17345482  1.0
  Ti  Ti3  1  0.75000000  0.47663109  0.32654518  1.0
  Fe  Fe4  1  0.75000000  0.85569196  0.55976957  1.0
  Fe  Fe5  1  0.75000000  0.35569196  0.94023043  1.0
  P  P6  1  0.25000000  0.76631177  0.39190072  1.0
  P  P7  1  0.25000000  0.26631177  0.10809928  1.0
  P  P8  1  0.75000000  0.23015286  0.63907220  1.0
  P  P9  1  0.75000000  0.73015286  0.86092780  1.0
  Ir  Ir10  1  0.25000000  0.15011702  0.43585851  1.0
  Ir  Ir11  1  0.25000000  0.65011702  0.06414149  1.0