# generated using pymatgen
data_TiFeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00227968
_cell_length_b   3.61758550
_cell_length_c   6.79504572
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFeP
_chemical_formula_sum   'Ti4 Fe4 P4'
_cell_volume   147.54599153
_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  0.25000000  0.02045400  0.81722400  1
  Ti  Ti1  1  0.25000000  0.52045400  0.68277600  1
  Ti  Ti2  1  0.75000000  0.97954600  0.18277600  1
  Ti  Ti3  1  0.75000000  0.47954600  0.31722400  1
  Fe  Fe4  1  0.25000000  0.14899500  0.43750900  1
  Fe  Fe5  1  0.25000000  0.64899500  0.06249100  1
  Fe  Fe6  1  0.75000000  0.85100500  0.56249100  1
  Fe  Fe7  1  0.75000000  0.35100500  0.93750900  1
  P  P8  1  0.25000000  0.77593100  0.38060400  1
  P  P9  1  0.25000000  0.27593100  0.11939600  1
  P  P10  1  0.75000000  0.22406900  0.61939600  1
  P  P11  1  0.75000000  0.72406900  0.88060400  1
