# generated using pymatgen
data_TaFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86479389
_cell_length_b   4.86479024
_cell_length_c   7.90553190
_cell_angle_alpha   89.99993700
_cell_angle_beta   90.00003309
_cell_angle_gamma   119.99848610
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFe2
_chemical_formula_sum   'Ta4 Fe8'
_cell_volume   162.03055387
_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  0.66667037  0.33332850  0.44233399  1.0
  Ta  Ta1  1  0.33333073  0.66666713  0.94235091  1.0
  Ta  Ta2  1  0.33333076  0.66666968  0.55767281  1.0
  Ta  Ta3  1  0.66667038  0.33332862  0.05764412  1.0
  Fe  Fe4  1  0.33863517  0.16931223  0.75003887  1.0
  Fe  Fe5  1  0.16932569  0.83067459  0.24996070  1.0
  Fe  Fe6  1  0.16931658  0.33864316  0.24996079  1.0
  Fe  Fe7  1  0.83068820  0.66136478  0.75003877  1.0
  Fe  Fe8  1  -0.00000157  0.00000350  0.00000978  1.0
  Fe  Fe9  1  0.66135714  0.83068420  0.24996068  1.0
  Fe  Fe10  1  0.83067914  0.16932010  0.75003884  1.0
  Fe  Fe11  1  -0.00000159  0.00000352  0.49998975  1.0