# generated using pymatgen
data_YFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11631602
_cell_length_b   5.11631602
_cell_length_c   16.12407604
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe3
_chemical_formula_sum   'Y6 Fe18'
_cell_volume   365.52761502
_cell_formula_units_Z   6
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  0.33333300  0.66666700  0.96313300  1
  Y  Y1  1  0.66666700  0.33333300  0.03686700  1
  Y  Y2  1  0.66666700  0.33333300  0.46313300  1
  Y  Y3  1  0.33333300  0.66666700  0.53686700  1
  Y  Y4  1  0.33333300  0.66666700  0.75000000  1
  Y  Y5  1  0.66666700  0.33333300  0.25000000  1
  Fe  Fe6  1  0.16634500  0.83365500  0.37166900  1
  Fe  Fe7  1  0.16634500  0.33269000  0.37166900  1
  Fe  Fe8  1  0.66731000  0.83365500  0.37166900  1
  Fe  Fe9  1  0.83365500  0.16634500  0.62833100  1
  Fe  Fe10  1  0.83365500  0.66731000  0.62833100  1
  Fe  Fe11  1  0.33269000  0.16634500  0.62833100  1
  Fe  Fe12  1  0.83365500  0.16634500  0.87166900  1
  Fe  Fe13  1  0.83365500  0.66731000  0.87166900  1
  Fe  Fe14  1  0.33269000  0.16634500  0.87166900  1
  Fe  Fe15  1  0.16634500  0.83365500  0.12833100  1
  Fe  Fe16  1  0.16634500  0.33269000  0.12833100  1
  Fe  Fe17  1  0.66731000  0.83365500  0.12833100  1
  Fe  Fe18  1  0.33333300  0.66666700  0.25000000  1
  Fe  Fe19  1  0.66666700  0.33333300  0.75000000  1
  Fe  Fe20  1  0.00000000  0.00000000  0.25000000  1
  Fe  Fe21  1  0.00000000  0.00000000  0.75000000  1
  Fe  Fe22  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe23  1  0.00000000  0.00000000  0.00000000  1
