# generated using pymatgen
data_SmFe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72943262
_cell_length_b   6.72943262
_cell_length_c   6.72943262
_cell_angle_alpha   95.97106385
_cell_angle_beta   95.97106385
_cell_angle_gamma   142.36789478
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmFe12
_chemical_formula_sum   'Sm1 Fe12'
_cell_volume   176.12945701
_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  0.26138900  0.50000000  0.76138900  1.0
  Fe  Fe2  1  0.50000000  0.26138900  0.76138900  1.0
  Fe  Fe3  1  0.73861100  0.50000000  0.23861100  1.0
  Fe  Fe4  1  0.50000000  0.73861100  0.23861100  1.0
  Fe  Fe5  1  0.22509700  0.22509700  0.45019400  1.0
  Fe  Fe6  1  0.77490300  0.22509700  0.00000000  1.0
  Fe  Fe7  1  0.77490300  0.77490300  0.54980600  1.0
  Fe  Fe8  1  0.22509700  0.77490300  0.00000000  1.0
  Fe  Fe9  1  0.36552900  0.00000000  0.36552900  1.0
  Fe  Fe10  1  0.00000000  0.36552900  0.36552900  1.0
  Fe  Fe11  1  0.63447100  0.00000000  0.63447100  1.0
  Fe  Fe12  1  0.00000000  0.63447100  0.63447100  1.0