# generated using pymatgen
data_SmTiFe11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71178800
_cell_length_b   6.48591216
_cell_length_c   6.48591216
_cell_angle_alpha   97.20522105
_cell_angle_beta   111.29884729
_cell_angle_gamma   68.70115271
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmTiFe11
_chemical_formula_sum   'Sm1 Ti1 Fe11'
_cell_volume   172.05466981
_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  0.00484200  0.99515800  0.00484200  1.0
  Ti  Ti1  1  0.63202300  0.36797700  0.63202300  1.0
  Fe  Fe2  1  0.49987400  0.99793000  0.49961900  1.0
  Fe  Fe3  1  0.00181500  0.99793000  0.49961900  1.0
  Fe  Fe4  1  0.49987400  0.50038100  0.00207000  1.0
  Fe  Fe5  1  0.00181500  0.50038100  0.00207000  1.0
  Fe  Fe6  1  0.73080400  0.76919600  0.23080400  1.0
  Fe  Fe7  1  0.27445000  0.22555000  0.77445000  1.0
  Fe  Fe8  1  0.49923000  0.77552200  0.77398100  1.0
  Fe  Fe9  1  0.49923000  0.22601900  0.22447800  1.0
  Fe  Fe10  1  0.35440700  0.64559300  0.35440700  1.0
  Fe  Fe11  1  0.00081800  0.35589700  0.35753400  1.0
  Fe  Fe12  1  0.00081800  0.64246600  0.64410300  1.0