# generated using pymatgen
data_SmAlFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41288520
_cell_length_b   5.41288520
_cell_length_c   8.84982800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.93989012
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmAlFe
_chemical_formula_sum   'Sm4 Al4 Fe4'
_cell_volume   226.91539763
_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
  Sm  Sm0  1  0.66653800  0.33346200  0.30429800  1.0
  Sm  Sm1  1  0.33112300  0.66887700  0.17673100  1.0
  Sm  Sm2  1  0.33112300  0.66887700  0.82326900  1.0
  Sm  Sm3  1  0.66653800  0.33346200  0.69570200  1.0
  Al  Al4  1  0.00441700  0.99558300  0.23612900  1.0
  Al  Al5  1  0.00441700  0.99558300  0.76387100  1.0
  Al  Al6  1  0.66233400  0.83570400  0.50000000  1.0
  Al  Al7  1  0.16429600  0.33766600  0.50000000  1.0
  Fe  Fe8  1  0.16561100  0.83438900  0.50000000  1.0
  Fe  Fe9  1  0.35142800  0.17676800  0.00000000  1.0
  Fe  Fe10  1  0.82323200  0.64857200  0.00000000  1.0
  Fe  Fe11  1  0.82862500  0.17137500  0.00000000  1.0