# generated using pymatgen
data_Th2FeB10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17910787
_cell_length_b   5.62580973
_cell_length_c   11.23057438
_cell_angle_alpha   89.99991834
_cell_angle_beta   90.00000087
_cell_angle_gamma   90.00000140
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2FeB10
_chemical_formula_sum   'Th4 Fe2 B20'
_cell_volume   264.04052618
_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
  Th  Th0  1  0.49999954  0.28953443  0.86939711  1.0
  Th  Th1  1  0.49999977  0.71046511  0.13066077  1.0
  Th  Th2  1  0.50000005  0.78951471  0.63058919  1.0
  Th  Th3  1  0.50000005  0.21048292  0.36935294  1.0
  Fe  Fe4  1  0.00000000  0.50000518  0.49998460  1.0
  Fe  Fe5  1  -0.00000001  0.00000529  0.00001559  1.0
  B  B6  1  0.00000006  0.12756820  0.53989378  1.0
  B  B7  1  0.00000010  0.87243303  0.46008399  1.0
  B  B8  1  -0.00000008  0.62756866  0.96010469  1.0
  B  B9  1  -0.00000007  0.37243275  0.03991767  1.0
  B  B10  1  0.00000006  0.14913577  0.69689422  1.0
  B  B11  1  0.00000008  0.85086438  0.30309726  1.0
  B  B12  1  0.29907028  0.20386435  0.11338521  1.0
  B  B13  1  0.29906877  0.79613246  0.88663516  1.0
  B  B14  1  0.70093068  0.70385393  0.38661244  1.0
  B  B15  1  0.70093111  0.29614252  0.61336716  1.0
  B  B16  1  0.70093121  0.79613247  0.88663516  1.0
  B  B17  1  0.70092970  0.20386431  0.11338520  1.0
  B  B18  1  0.29906910  0.29614252  0.61336717  1.0
  B  B19  1  0.29906953  0.70385397  0.38661242  1.0
  B  B20  1  -0.00000006  0.03854134  0.18731425  1.0
  B  B21  1  -0.00000002  0.96146034  0.81269187  1.0
  B  B22  1  0.00000007  0.53854437  0.31268516  1.0
  B  B23  1  0.00000010  0.46145684  0.68730893  1.0
  B  B24  1  0.00000000  0.35087212  0.19690246  1.0
  B  B25  1  -0.00000003  0.64912803  0.80310560  1.0