# generated using pymatgen
data_Sm3TiFeC6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.30197264
_cell_length_b   8.30197204
_cell_length_c   5.11826084
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998651
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3TiFeC6
_chemical_formula_sum   'Sm6 Ti2 Fe2 C12'
_cell_volume   305.50313380
_cell_formula_units_Z   2
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  0.61826528  0.67676189  0.75000000  1.0
  Sm  Sm1  1  0.94150440  0.61826528  0.25000000  1.0
  Sm  Sm2  1  0.67676189  0.05849560  0.25000000  1.0
  Sm  Sm3  1  0.32323811  0.94150440  0.75000000  1.0
  Sm  Sm4  1  0.05849560  0.38173472  0.75000000  1.0
  Sm  Sm5  1  0.38173472  0.32323811  0.25000000  1.0
  Ti  Ti6  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti7  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe8  1  0.66666700  0.33333300  0.75000000  1.0
  Fe  Fe9  1  0.33333300  0.66666700  0.25000000  1.0
  C  C10  1  0.95641667  0.75756367  0.75000000  1.0
  C  C11  1  0.19885300  0.95641667  0.25000000  1.0
  C  C12  1  0.75756367  0.80114700  0.25000000  1.0
  C  C13  1  0.24243633  0.19885300  0.75000000  1.0
  C  C14  1  0.80114700  0.04358333  0.75000000  1.0
  C  C15  1  0.04358333  0.24243633  0.25000000  1.0
  C  C16  1  0.86115095  0.56850038  0.75000000  1.0
  C  C17  1  0.29264957  0.86115095  0.25000000  1.0
  C  C18  1  0.56850038  0.70735043  0.25000000  1.0
  C  C19  1  0.43149962  0.29264957  0.75000000  1.0
  C  C20  1  0.13884905  0.43149962  0.25000000  1.0
  C  C21  1  0.70735043  0.13884905  0.75000000  1.0