# generated using pymatgen
data_Sm4Fe31(CoC2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50129300
_cell_length_b   6.53214267
_cell_length_c   13.04511961
_cell_angle_alpha   83.60840372
_cell_angle_beta   83.58789683
_cell_angle_gamma   83.55000472
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm4Fe31(CoC2)3
_chemical_formula_sum   'Sm4 Fe31 Co3 C6'
_cell_volume   544.29783149
_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  0.65522600  0.65506500  0.32809000  1.0
  Sm  Sm1  1  0.65495400  0.65515100  0.82760200  1.0
  Sm  Sm2  1  0.34680900  0.34511500  0.17322900  1.0
  Sm  Sm3  1  0.34581300  0.34459500  0.67181900  1.0
  Fe  Fe4  1  0.90416000  0.90316100  0.45221500  1.0
  Fe  Fe5  1  0.90488900  0.90335900  0.95199600  1.0
  Fe  Fe6  1  0.09425800  0.09567100  0.04755200  1.0
  Fe  Fe7  1  0.09436000  0.09513600  0.54709200  1.0
  Fe  Fe8  1  0.00001300  0.00138600  0.24990000  1.0
  Fe  Fe9  1  0.99967900  0.00084100  0.74989000  1.0
  Fe  Fe10  1  0.00005500  0.49985200  0.50005100  1.0
  Fe  Fe11  1  0.99947200  0.49980200  0.00031400  1.0
  Fe  Fe12  1  0.49917800  0.00028300  0.00012600  1.0
  Fe  Fe13  1  0.49955300  0.00069100  0.50017400  1.0
  Fe  Fe14  1  0.28217800  0.71789600  0.49931500  1.0
  Fe  Fe15  1  0.28284900  0.71639900  0.00000700  1.0
  Fe  Fe16  1  0.71604600  0.99932400  0.14209000  1.0
  Fe  Fe17  1  0.71660400  0.99935600  0.64170300  1.0
  Fe  Fe18  1  0.00065200  0.28266700  0.35842800  1.0
  Fe  Fe19  1  0.99963300  0.28305200  0.85848500  1.0
  Fe  Fe20  1  0.28340500  0.00022100  0.35809300  1.0
  Fe  Fe21  1  0.28385800  0.00033400  0.85754000  1.0
  Fe  Fe22  1  0.99866500  0.71760600  0.14186800  1.0
  Fe  Fe23  1  0.99793800  0.71842200  0.64158800  1.0
  Fe  Fe24  1  0.71631500  0.28305300  0.00036700  1.0
  Fe  Fe25  1  0.71744200  0.28262300  0.50044500  1.0
  Fe  Fe26  1  0.34235500  0.34202300  0.92842800  1.0
  Fe  Fe27  1  0.34199000  0.85654800  0.17081600  1.0
  Fe  Fe28  1  0.34198400  0.85692900  0.67041700  1.0
  Fe  Fe29  1  0.14228900  0.65712100  0.32797000  1.0
  Fe  Fe30  1  0.14245600  0.65648700  0.82799500  1.0
  Fe  Fe31  1  0.65745400  0.65867500  0.07170500  1.0
  Fe  Fe32  1  0.65598700  0.65723300  0.57122700  1.0
  Fe  Fe33  1  0.65803800  0.14298300  0.32943300  1.0
  Fe  Fe34  1  0.65759700  0.14278000  0.82941100  1.0
  Co  Co35  1  0.86088400  0.34359200  0.17186400  1.0
  Co  Co36  1  0.86296000  0.34312800  0.67131800  1.0
  Co  Co37  1  0.34372400  0.34342600  0.43082500  1.0
  C  C38  1  0.49972400  0.49930500  0.00023200  1.0
  C  C39  1  0.49920200  0.49947600  0.49998100  1.0
  C  C40  1  0.49936600  0.00048900  0.24984600  1.0
  C  C41  1  0.49987000  0.00027500  0.74952500  1.0
  C  C42  1  0.00018700  0.49894900  0.24952900  1.0
  C  C43  1  0.99992900  0.49952200  0.74950200  1.0