# generated using pymatgen
data_TiFeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97127924
_cell_length_b   5.97127924
_cell_length_c   3.57709775
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFeP
_chemical_formula_sum   'Ti3 Fe3 P3'
_cell_volume   110.45775234
_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  0.58001600  0.58001600  0.00000000  1
  Ti  Ti1  1  0.41998400  0.00000000  0.00000000  1
  Ti  Ti2  1  0.00000000  0.41998400  0.00000000  1
  Fe  Fe3  1  0.24345900  0.24345900  0.50000000  1
  Fe  Fe4  1  0.75654100  0.00000000  0.50000000  1
  Fe  Fe5  1  0.00000000  0.75654100  0.50000000  1
  P  P6  1  0.00000000  0.00000000  0.00000000  1
  P  P7  1  0.66666700  0.33333300  0.50000000  1
  P  P8  1  0.33333300  0.66666700  0.50000000  1
