# generated using pymatgen
data_TaFeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72594366
_cell_length_b   6.26282698
_cell_length_c   7.04330272
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFeAs
_chemical_formula_sum   'Ta4 Fe4 As4'
_cell_volume   164.35504975
_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  0.75000000  0.48039048  0.17930244  1.0
  Ta  Ta1  1  0.75000000  0.98039048  0.32069756  1.0
  Ta  Ta2  1  0.25000000  0.51960952  0.82069756  1.0
  Ta  Ta3  1  0.25000000  0.01960952  0.67930244  1.0
  Fe  Fe4  1  0.75000000  0.35908818  0.56368323  1.0
  Fe  Fe5  1  0.75000000  0.85908818  0.93631677  1.0
  Fe  Fe6  1  0.25000000  0.64091182  0.43631677  1.0
  Fe  Fe7  1  0.25000000  0.14091182  0.06368323  1.0
  As  As8  1  0.75000000  0.22565308  0.88062858  1.0
  As  As9  1  0.75000000  0.72565308  0.61937142  1.0
  As  As10  1  0.25000000  0.77434692  0.11937142  1.0
  As  As11  1  0.25000000  0.27434692  0.38062858  1.0