# generated using pymatgen
data_TiFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84550273
_cell_length_b   4.84550268
_cell_length_c   7.83829352
_cell_angle_alpha   90.00000730
_cell_angle_beta   90.00000400
_cell_angle_gamma   119.99834739
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFe2
_chemical_formula_sum   'Ti4 Fe8'
_cell_volume   159.38119055
_cell_formula_units_Z   4
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  0.33333175  0.66666784  0.43965602  1.0
  Ti  Ti1  1  0.66666822  0.33333188  0.93963880  1.0
  Ti  Ti2  1  0.66666808  0.33333166  0.56034756  1.0
  Ti  Ti3  1  0.33333186  0.66666802  0.06035991  1.0
  Fe  Fe4  1  0.66209349  0.83104978  0.74997365  1.0
  Fe  Fe5  1  0.33792758  0.16895939  0.25002623  1.0
  Fe  Fe6  1  0.83103310  0.16896911  0.25002634  1.0
  Fe  Fe7  1  0.16894926  0.33790647  0.74997381  1.0
  Fe  Fe8  1  0.16895811  0.83104275  0.74997370  1.0
  Fe  Fe9  1  0.83103941  0.66207230  0.25002611  1.0
  Fe  Fe10  1  0.00000009  -0.00000016  0.50000455  1.0
  Fe  Fe11  1  0.00000003  -0.00000005  -0.00000469  1.0