# generated using pymatgen
data_Sm3Th11TcRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79196380
_cell_length_b   9.87597967
_cell_length_c   6.46405854
_cell_angle_alpha   89.65839900
_cell_angle_beta   90.24606993
_cell_angle_gamma   120.04895259
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm3Th11TcRu5
_chemical_formula_sum   'Sm3 Th11 Tc1 Ru5'
_cell_volume   541.08219518
_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  0.46309371  0.53682381  0.29871849  1.0
  Sm  Sm1  1  0.07157606  0.53503920  0.30034064  1.0
  Sm  Sm2  1  0.92734535  0.46249107  0.79935628  1.0
  Th  Th3  1  0.24897329  0.12552504  0.50964553  1.0
  Th  Th4  1  0.54001408  0.07701138  0.80262689  1.0
  Th  Th5  1  0.75103233  0.87382269  0.01258070  1.0
  Th  Th6  1  0.66681765  0.33377970  0.27276326  1.0
  Th  Th7  1  0.12263921  0.87233949  0.00823927  1.0
  Th  Th8  1  0.46261195  0.92303010  0.30342173  1.0
  Th  Th9  1  0.53854852  0.46327274  0.80337795  1.0
  Th  Th10  1  0.87716298  0.12589099  0.51200968  1.0
  Th  Th11  1  0.12384972  0.25033802  0.00904693  1.0
  Th  Th12  1  0.87515484  0.75042137  0.50929940  1.0
  Th  Th13  1  0.33374810  0.66664778  0.77245656  1.0
  Tc  Tc14  1  0.81206869  0.63722841  0.04288781  1.0
  Ru  Ru15  1  0.81050869  0.17555174  0.04565244  1.0
  Ru  Ru16  1  0.63175475  0.82308330  0.54603966  1.0
  Ru  Ru17  1  0.36990590  0.18410354  0.03972128  1.0
  Ru  Ru18  1  0.18111093  0.35986116  0.55190028  1.0
  Ru  Ru19  1  0.19208226  0.82373947  0.54390723  1.0