# generated using pymatgen
data_SmFe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66286800
_cell_length_b   6.45579046
_cell_length_c   6.45579046
_cell_angle_alpha   82.50608123
_cell_angle_beta   68.82987293
_cell_angle_gamma   68.82987293
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmFe12
_chemical_formula_sum   'Sm1 Fe12'
_cell_volume   168.99001144
_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  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe2  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe3  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe4  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe5  1  0.00000000  0.35877800  0.64122200  1.0
  Fe  Fe6  1  0.00000000  0.64122200  0.35877800  1.0
  Fe  Fe7  1  0.64122200  0.35877800  0.35877800  1.0
  Fe  Fe8  1  0.35877800  0.64122200  0.64122200  1.0
  Fe  Fe9  1  0.50000000  0.76815400  0.23184600  1.0
  Fe  Fe10  1  0.50000000  0.23184600  0.76815400  1.0
  Fe  Fe11  1  0.73184600  0.76815400  0.76815400  1.0
  Fe  Fe12  1  0.26815400  0.23184600  0.23184600  1.0