# generated using pymatgen
data_Th2Fe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12238565
_cell_length_b   5.12238600
_cell_length_c   12.67915608
_cell_angle_alpha   78.34604597
_cell_angle_beta   78.34604757
_cell_angle_gamma   59.99999774
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Fe7
_chemical_formula_sum   'Th4 Fe14'
_cell_volume   280.16767040
_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  0.94906100  0.94906100  0.15281800  1.0
  Th  Th1  1  0.05093900  0.05093900  0.84718200  1.0
  Th  Th2  1  0.85157500  0.85157500  0.44527400  1.0
  Th  Th3  1  0.14842500  0.14842500  0.55472600  1.0
  Fe  Fe4  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe5  1  0.72240700  0.72240700  0.83277800  1.0
  Fe  Fe6  1  0.27759300  0.27759300  0.16722200  1.0
  Fe  Fe7  1  0.61127900  0.61127900  0.16616200  1.0
  Fe  Fe8  1  0.38872100  0.38872100  0.83383800  1.0
  Fe  Fe9  1  0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe10  1  0.50000000  0.00000000  0.00000000  1.0
  Fe  Fe11  1  0.50000000  0.50000000  0.00000000  1.0
  Fe  Fe12  1  0.38970000  0.38970000  0.32920500  1.0
  Fe  Fe13  1  0.89139500  0.38970000  0.32920500  1.0
  Fe  Fe14  1  0.38970000  0.89139500  0.32920500  1.0
  Fe  Fe15  1  0.61030000  0.61030000  0.67079500  1.0
  Fe  Fe16  1  0.10860500  0.61030000  0.67079500  1.0
  Fe  Fe17  1  0.61030000  0.10860500  0.67079500  1.0