# generated using pymatgen
data_Ti4Fe2P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46562388
_cell_length_b   10.65020721
_cell_length_c   6.39222013
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Fe2P3
_chemical_formula_sum   'Ti8 Fe4 P6'
_cell_volume   235.93436759
_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  0.40906300  0.00000000  0.50000000  1
  Ti  Ti1  1  0.78549500  0.20756100  0.50000000  1
  Ti  Ti2  1  0.78549500  0.79243900  0.50000000  1
  Ti  Ti3  1  0.75826400  0.00000000  0.00000000  1
  Ti  Ti4  1  0.90906300  0.50000000  0.50000000  1
  Ti  Ti5  1  0.28549500  0.70756100  0.50000000  1
  Ti  Ti6  1  0.28549500  0.29243900  0.50000000  1
  Ti  Ti7  1  0.25826400  0.50000000  0.00000000  1
  Fe  Fe8  1  0.12660300  0.87667500  0.00000000  1
  Fe  Fe9  1  0.12660300  0.12332500  0.00000000  1
  Fe  Fe10  1  0.62660300  0.37667500  0.00000000  1
  Fe  Fe11  1  0.62660300  0.62332500  0.00000000  1
  P  P12  1  0.49250900  0.17121700  0.00000000  1
  P  P13  1  0.49250900  0.82878300  0.00000000  1
  P  P14  1  0.02335900  0.00000000  0.50000000  1
  P  P15  1  0.99250900  0.67121700  0.00000000  1
  P  P16  1  0.99250900  0.32878300  0.00000000  1
  P  P17  1  0.52335900  0.50000000  0.50000000  1
