# generated using pymatgen
data_ThFe2(Re4W)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00520910
_cell_length_b   6.89944758
_cell_length_c   6.89944755
_cell_angle_alpha   98.04403398
_cell_angle_beta   111.26764288
_cell_angle_gamma   68.73235129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThFe2(Re4W)2
_chemical_formula_sum   'Th1 Fe2 Re8 W2'
_cell_volume   206.90252931
_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  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.50000000  0.00000000  0.50000000  1.0
  Fe  Fe2  1  0.50000000  0.50000000  0.00000000  1.0
  Re  Re3  1  0.71202756  0.77589461  0.22410539  1.0
  Re  Re4  1  0.28797244  0.22410539  0.77589461  1.0
  Re  Re5  1  0.50000000  0.77911654  0.77911654  1.0
  Re  Re6  1  0.50000000  0.22088346  0.22088346  1.0
  Re  Re7  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re8  1  0.00000000  0.50000000  0.00000000  1.0
  Re  Re9  1  0.63560636  0.35902095  0.64097905  1.0
  Re  Re10  1  0.36439364  0.64097905  0.35902095  1.0
  W  W11  1  1.00000000  0.35773937  0.35773937  1.0
  W  W12  1  0.00000000  0.64226063  0.64226063  1.0