# generated using pymatgen
data_YThFe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17168639
_cell_length_b   5.17190297
_cell_length_c   16.79391099
_cell_angle_alpha   81.13724691
_cell_angle_beta   89.99982787
_cell_angle_gamma   119.99754441
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YThFe6
_chemical_formula_sum   'Y3 Th3 Fe18'
_cell_volume   382.81797499
_cell_formula_units_Z   3
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
  Y  Y0  1  0.42950307  0.85900339  0.71132815  1.0
  Y  Y1  1  0.00011265  0.00022560  0.99954271  1.0
  Y  Y2  1  0.49866770  0.99733484  0.50401996  1.0
  Th  Th3  1  0.57002943  0.14006262  0.29021978  1.0
  Th  Th4  1  0.07066346  0.14133132  0.78782086  1.0
  Th  Th5  1  0.92962998  0.85925467  0.21118336  1.0
  Fe  Fe6  1  0.66622290  0.33244923  0.00057933  1.0
  Fe  Fe7  1  0.16622484  0.33245245  0.50073596  1.0
  Fe  Fe8  1  0.83370287  0.66740052  0.49952374  1.0
  Fe  Fe9  1  0.33403240  0.66806357  0.99837706  1.0
  Fe  Fe10  1  0.24963645  0.49927159  0.25137807  1.0
  Fe  Fe11  1  0.75096516  0.50192768  0.74683242  1.0
  Fe  Fe12  1  0.04138936  0.57801085  0.38082707  1.0
  Fe  Fe13  1  0.54236648  0.57896380  0.87840475  1.0
  Fe  Fe14  1  0.53662381  0.57801371  0.38082805  1.0
  Fe  Fe15  1  0.03660055  0.57896882  0.87840521  1.0
  Fe  Fe16  1  0.04122132  0.08244543  0.38079272  1.0
  Fe  Fe17  1  0.54250671  0.08501775  0.87833195  1.0
  Fe  Fe18  1  0.45786994  0.42201629  0.12018264  1.0
  Fe  Fe19  1  0.95907318  0.42086932  0.62012986  1.0
  Fe  Fe20  1  0.96414484  0.42201438  0.12018179  1.0
  Fe  Fe21  1  0.46179508  0.42086732  0.62012897  1.0
  Fe  Fe22  1  0.45786203  0.91571908  0.12013370  1.0
  Fe  Fe23  1  0.95915982  0.91831577  0.62011191  1.0