# generated using pymatgen
data_TaFeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56711173
_cell_length_b   6.08489622
_cell_length_c   6.87713690
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFeP
_chemical_formula_sum   'Ta4 Fe4 P4'
_cell_volume   149.27172718
_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
  Ta  Ta0  1  0.25000000  0.52067806  0.32317614  1.0
  Ta  Ta1  1  0.25000000  0.02067806  0.17682386  1.0
  Ta  Ta2  1  0.75000000  0.97932194  0.82317614  1.0
  Ta  Ta3  1  0.75000000  0.47932194  0.67682386  1.0
  Fe  Fe4  1  0.75000000  0.35917384  0.06361404  1.0
  Fe  Fe5  1  0.25000000  0.14082616  0.56361404  1.0
  Fe  Fe6  1  0.75000000  0.85917384  0.43638596  1.0
  Fe  Fe7  1  0.25000000  0.64082616  0.93638596  1.0
  P  P8  1  0.25000000  0.77818970  0.61827069  1.0
  P  P9  1  0.25000000  0.27819070  0.88172931  1.0
  P  P10  1  0.75000000  0.22180930  0.38172931  1.0
  P  P11  1  0.75000000  0.72181030  0.11827069  1.0