# generated using pymatgen
data_ThFe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08754342
_cell_length_b   5.08755042
_cell_length_c   4.07606604
_cell_angle_alpha   90.00000007
_cell_angle_beta   89.99999481
_cell_angle_gamma   119.99958223
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThFe5
_chemical_formula_sum   'Th1 Fe5'
_cell_volume   91.36724451
_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
  Th  Th0  1  -0.00000002  -0.00000008  -0.00000002  1.0
  Fe  Fe1  1  0.49999969  0.50000035  0.50000014  1.0
  Fe  Fe2  1  0.33332626  0.66665884  -0.00000009  1.0
  Fe  Fe3  1  0.66667376  0.33334117  -0.00000006  1.0
  Fe  Fe4  1  0.00000063  0.50000038  0.50000006  1.0
  Fe  Fe5  1  0.49999968  -0.00000066  0.49999997  1.0