# generated using pymatgen
data_Sm6TlFe13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.00579500
_cell_length_b   8.00579500
_cell_length_c   12.90163745
_cell_angle_alpha   108.07506333
_cell_angle_beta   108.07506333
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm6TlFe13
_chemical_formula_sum   'Sm12 Tl2 Fe26'
_cell_volume   743.05004520
_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  0.60422300  0.60422300  0.20844600  1.0
  Sm  Sm1  1  0.10422300  0.10422300  0.20844600  1.0
  Sm  Sm2  1  0.39577700  0.39577700  0.79155400  1.0
  Sm  Sm3  1  0.89577700  0.89577700  0.79155400  1.0
  Sm  Sm4  1  0.97879200  0.47879200  0.63125200  1.0
  Sm  Sm5  1  0.65246000  0.15246000  0.63125200  1.0
  Sm  Sm6  1  0.15246000  0.97879200  0.63125200  1.0
  Sm  Sm7  1  0.47879200  0.65246000  0.63125200  1.0
  Sm  Sm8  1  0.02120800  0.52120800  0.36874800  1.0
  Sm  Sm9  1  0.34754000  0.84754000  0.36874800  1.0
  Sm  Sm10  1  0.84754000  0.02120800  0.36874800  1.0
  Sm  Sm11  1  0.52120800  0.34754000  0.36874800  1.0
  Tl  Tl12  1  0.25000000  0.25000000  0.50000000  1.0
  Tl  Tl13  1  0.75000000  0.75000000  0.50000000  1.0
  Fe  Fe14  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe15  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe16  1  0.71006200  0.56631400  0.00000000  1.0
  Fe  Fe17  1  0.28993800  0.43368600  0.00000000  1.0
  Fe  Fe18  1  0.78993800  0.06631400  0.00000000  1.0
  Fe  Fe19  1  0.21006200  0.93368600  0.00000000  1.0
  Fe  Fe20  1  0.56631400  0.28993800  0.00000000  1.0
  Fe  Fe21  1  0.43368600  0.71006200  0.00000000  1.0
  Fe  Fe22  1  0.06631400  0.21006200  0.00000000  1.0
  Fe  Fe23  1  0.93368600  0.78993800  0.00000000  1.0
  Fe  Fe24  1  0.11985400  0.61985400  0.88161700  1.0
  Fe  Fe25  1  0.76176200  0.26176200  0.88161700  1.0
  Fe  Fe26  1  0.26176200  0.11985400  0.88161700  1.0
  Fe  Fe27  1  0.61985400  0.76176200  0.88161700  1.0
  Fe  Fe28  1  0.88014600  0.38014600  0.11838300  1.0
  Fe  Fe29  1  0.23823800  0.73823800  0.11838300  1.0
  Fe  Fe30  1  0.73823800  0.88014600  0.11838300  1.0
  Fe  Fe31  1  0.38014600  0.23823800  0.11838300  1.0
  Fe  Fe32  1  0.29173100  0.79173100  0.81036100  1.0
  Fe  Fe33  1  0.51862900  0.01862900  0.81036100  1.0
  Fe  Fe34  1  0.01862900  0.29173100  0.81036100  1.0
  Fe  Fe35  1  0.79173100  0.51862900  0.81036100  1.0
  Fe  Fe36  1  0.70826900  0.20826900  0.18963900  1.0
  Fe  Fe37  1  0.48137100  0.98137100  0.18963900  1.0
  Fe  Fe38  1  0.98137100  0.70826900  0.18963900  1.0
  Fe  Fe39  1  0.20826900  0.48137100  0.18963900  1.0