# generated using pymatgen
data_TaFeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17542200
_cell_length_b   3.73829900
_cell_length_c   6.98315100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFeSi
_chemical_formula_sum   'Ta4 Fe4 Si4'
_cell_volume   161.21004838
_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  0.01584500  0.25000000  0.31281300  1.0
  Ta  Ta1  1  0.51584500  0.25000000  0.18718700  1.0
  Ta  Ta2  1  0.98415500  0.75000000  0.68718700  1.0
  Ta  Ta3  1  0.48415500  0.75000000  0.81281300  1.0
  Fe  Fe4  1  0.14879500  0.25000000  0.93542600  1.0
  Fe  Fe5  1  0.64879500  0.25000000  0.56457400  1.0
  Fe  Fe6  1  0.85120500  0.75000000  0.06457400  1.0
  Fe  Fe7  1  0.35120500  0.75000000  0.43542600  1.0
  Si  Si8  1  0.27788900  0.25000000  0.61519700  1.0
  Si  Si9  1  0.77788900  0.25000000  0.88480300  1.0
  Si  Si10  1  0.72211100  0.75000000  0.38480300  1.0
  Si  Si11  1  0.22211100  0.75000000  0.11519700  1.0