# generated using pymatgen
data_YTh(FeSi2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02178361
_cell_length_b   4.28778542
_cell_length_c   7.98399778
_cell_angle_alpha   76.03229344
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTh(FeSi2)2
_chemical_formula_sum   'Y1 Th1 Fe2 Si4'
_cell_volume   133.60946546
_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
  Y  Y0  1  0.75000000  0.39363713  0.20764440  1.0
  Th  Th1  1  0.25000000  0.60818258  0.79286541  1.0
  Fe  Fe2  1  0.25000000  0.88408393  0.39205180  1.0
  Fe  Fe3  1  0.75000000  0.11288714  0.60895826  1.0
  Si  Si4  1  0.25000000  0.95455520  0.10065925  1.0
  Si  Si5  1  0.75000000  0.04574540  0.90809016  1.0
  Si  Si6  1  0.25000000  0.32807615  0.49090003  1.0
  Si  Si7  1  0.75000000  0.67283446  0.49883069  1.0