# generated using pymatgen
data_Sm4TiFe33
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44300233
_cell_length_b   6.44300233
_cell_length_c   12.85368140
_cell_angle_alpha   82.80809208
_cell_angle_beta   82.80809208
_cell_angle_gamma   83.17386118
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm4TiFe33
_chemical_formula_sum   'Sm4 Ti1 Fe33'
_cell_volume   522.32884545
_cell_formula_units_Z   1
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
  Sm  Sm0  1  0.65351700  0.65351700  0.32583200  1.0
  Sm  Sm1  1  0.65852100  0.65852100  0.82976000  1.0
  Sm  Sm2  1  0.34163400  0.34163400  0.17005100  1.0
  Sm  Sm3  1  0.34070100  0.34070100  0.67164200  1.0
  Ti  Ti4  1  0.90765800  0.90765800  0.45330000  1.0
  Fe  Fe5  1  0.34057500  0.34057500  0.42210600  1.0
  Fe  Fe6  1  0.34278300  0.34278300  0.92234900  1.0
  Fe  Fe7  1  0.34132300  0.84393200  0.17040200  1.0
  Fe  Fe8  1  0.34141900  0.84395500  0.67115900  1.0
  Fe  Fe9  1  0.84393200  0.34132300  0.17040200  1.0
  Fe  Fe10  1  0.84395500  0.34141900  0.67115900  1.0
  Fe  Fe11  1  0.65767600  0.65767600  0.07733200  1.0
  Fe  Fe12  1  0.65800600  0.65800600  0.57944200  1.0
  Fe  Fe13  1  0.65719400  0.15806900  0.32855200  1.0
  Fe  Fe14  1  0.65824500  0.15597000  0.82941900  1.0
  Fe  Fe15  1  0.15806900  0.65719400  0.32855200  1.0
  Fe  Fe16  1  0.15597000  0.65824500  0.82941900  1.0
  Fe  Fe17  1  0.00105400  0.00105400  0.24835200  1.0
  Fe  Fe18  1  0.99932900  0.99932900  0.75032700  1.0
  Fe  Fe19  1  0.00027400  0.50011600  0.00008900  1.0
  Fe  Fe20  1  0.00046200  0.49755300  0.50026700  1.0
  Fe  Fe21  1  0.50011600  0.00027400  0.00008900  1.0
  Fe  Fe22  1  0.49755300  0.00046200  0.50026700  1.0
  Fe  Fe23  1  0.29031800  0.70957600  0.99994200  1.0
  Fe  Fe24  1  0.29707000  0.70334200  0.50038300  1.0
  Fe  Fe25  1  0.70716800  0.00020300  0.14683200  1.0
  Fe  Fe26  1  0.70362300  0.00187100  0.64832200  1.0
  Fe  Fe27  1  0.99975900  0.29725800  0.35150700  1.0
  Fe  Fe28  1  0.99923900  0.29249700  0.85333400  1.0
  Fe  Fe29  1  0.29725800  0.99975900  0.35150700  1.0
  Fe  Fe30  1  0.29249700  0.99923900  0.85333400  1.0
  Fe  Fe31  1  0.00020300  0.70716800  0.14683200  1.0
  Fe  Fe32  1  0.00187100  0.70362300  0.64832200  1.0
  Fe  Fe33  1  0.70957600  0.29031800  0.99994200  1.0
  Fe  Fe34  1  0.70334200  0.29707000  0.50038300  1.0
  Fe  Fe35  1  0.90431400  0.90431400  0.95179600  1.0
  Fe  Fe36  1  0.09581900  0.09581900  0.04720000  1.0
  Fe  Fe37  1  0.09797900  0.09797900  0.55009100  1.0