# generated using pymatgen
data_ThFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84044136
_cell_length_b   8.84044136
_cell_length_c   8.84044183
_cell_angle_alpha   33.81798437
_cell_angle_beta   33.81798437
_cell_angle_gamma   33.81798177
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThFe3
_chemical_formula_sum   'Th3 Fe9'
_cell_volume   190.70848121
_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
  Th  Th0  1  0.85882400  0.85882400  0.85882400  1.0
  Th  Th1  1  0.14117600  0.14117600  0.14117600  1.0
  Th  Th2  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe3  1  0.41968000  0.91685000  0.41968000  1.0
  Fe  Fe4  1  0.41968000  0.41968000  0.91685000  1.0
  Fe  Fe5  1  0.91685000  0.41968000  0.41968000  1.0
  Fe  Fe6  1  0.58032000  0.08315000  0.58032000  1.0
  Fe  Fe7  1  0.58032000  0.58032000  0.08315000  1.0
  Fe  Fe8  1  0.08315000  0.58032000  0.58032000  1.0
  Fe  Fe9  1  0.66743600  0.66743600  0.66743600  1.0
  Fe  Fe10  1  0.33256400  0.33256400  0.33256400  1.0
  Fe  Fe11  1  0.50000000  0.50000000  0.50000000  1.0