# generated using pymatgen
data_Th2Fe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12279559
_cell_length_b   5.12279559
_cell_length_c   24.77002900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999469
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Fe7
_chemical_formula_sum   'Th8 Fe28'
_cell_volume   562.95181515
_cell_formula_units_Z   4
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  0.33333300  0.66666700  0.02742600  1.0
  Th  Th1  1  0.66666700  0.33333300  0.52742600  1.0
  Th  Th2  1  0.66666700  0.33333300  0.97257400  1.0
  Th  Th3  1  0.33333300  0.66666700  0.47257400  1.0
  Th  Th4  1  0.33333300  0.66666700  0.17312800  1.0
  Th  Th5  1  0.66666700  0.33333300  0.67312800  1.0
  Th  Th6  1  0.66666700  0.33333300  0.82687200  1.0
  Th  Th7  1  0.33333300  0.66666700  0.32687200  1.0
  Fe  Fe8  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe9  1  0.00000000  0.00000000  0.50000000  1.0
  Fe  Fe10  1  0.00000000  0.00000000  0.16814800  1.0
  Fe  Fe11  1  0.00000000  0.00000000  0.66814800  1.0
  Fe  Fe12  1  0.00000000  0.00000000  0.83185200  1.0
  Fe  Fe13  1  0.00000000  0.00000000  0.33185200  1.0
  Fe  Fe14  1  0.33333300  0.66666700  0.83246200  1.0
  Fe  Fe15  1  0.66666700  0.33333300  0.33246200  1.0
  Fe  Fe16  1  0.66666700  0.33333300  0.16753800  1.0
  Fe  Fe17  1  0.33333300  0.66666700  0.66753800  1.0
  Fe  Fe18  1  0.83323600  0.66647200  0.25000000  1.0
  Fe  Fe19  1  0.16676400  0.83323600  0.75000000  1.0
  Fe  Fe20  1  0.66647200  0.83323600  0.75000000  1.0
  Fe  Fe21  1  0.33352800  0.16676400  0.25000000  1.0
  Fe  Fe22  1  0.83323600  0.16676400  0.25000000  1.0
  Fe  Fe23  1  0.16676400  0.33352800  0.75000000  1.0
  Fe  Fe24  1  0.83378800  0.66757500  0.08594500  1.0
  Fe  Fe25  1  0.16621200  0.83378800  0.58594500  1.0
  Fe  Fe26  1  0.66757500  0.83378800  0.58594500  1.0
  Fe  Fe27  1  0.33242500  0.16621200  0.08594500  1.0
  Fe  Fe28  1  0.83378800  0.16621200  0.08594500  1.0
  Fe  Fe29  1  0.16621200  0.33242500  0.91405500  1.0
  Fe  Fe30  1  0.16621200  0.83378800  0.91405500  1.0
  Fe  Fe31  1  0.16621200  0.33242500  0.58594500  1.0
  Fe  Fe32  1  0.66757500  0.83378800  0.91405500  1.0
  Fe  Fe33  1  0.33242500  0.16621200  0.41405500  1.0
  Fe  Fe34  1  0.83378800  0.66757500  0.41405500  1.0
  Fe  Fe35  1  0.83378800  0.16621200  0.41405500  1.0