# generated using pymatgen
data_TiFeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54289833
_cell_length_b   5.90758464
_cell_length_c   5.90746840
_cell_angle_alpha   120.00065570
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFeP
_chemical_formula_sum   'Ti3 Fe3 P3'
_cell_volume   107.07739855
_cell_formula_units_Z   3
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  -0.00000000  0.42118904  -0.00000000  1.0
  Ti  Ti1  1  -0.00000000  0.57882942  0.57883602  1.0
  Ti  Ti2  1  -0.00000000  -0.00000759  0.42116398  1.0
  Fe  Fe3  1  0.50000000  0.75654940  0.00000000  1.0
  Fe  Fe4  1  0.50000000  0.24341679  0.24345320  1.0
  Fe  Fe5  1  0.50000000  0.99996359  0.75654680  1.0
  P  P6  1  -0.00000000  -0.00000885  -0.00000000  1.0
  P  P7  1  0.50000000  0.33331475  0.66663331  1.0
  P  P8  1  0.50000000  0.66668244  0.33336669  1.0