# generated using pymatgen
data_YFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14693485
_cell_length_b   5.14693485
_cell_length_c   8.63263364
_cell_angle_alpha   72.65592460
_cell_angle_beta   72.65592460
_cell_angle_gamma   60.00001478
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe3
_chemical_formula_sum   'Y3 Fe9'
_cell_volume   185.94496938
_cell_formula_units_Z   3
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  0.14198000  0.14198000  0.57405900  1.0
  Y  Y1  1  0.85802000  0.85802000  0.42594100  1.0
  Y  Y2  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe3  1  0.08231400  0.58024900  0.75718700  1.0
  Fe  Fe4  1  0.58024900  0.58024900  0.75718700  1.0
  Fe  Fe5  1  0.58024900  0.08231400  0.75718700  1.0
  Fe  Fe6  1  0.91768600  0.41975100  0.24281300  1.0
  Fe  Fe7  1  0.41975100  0.41975100  0.24281300  1.0
  Fe  Fe8  1  0.41975100  0.91768600  0.24281300  1.0
  Fe  Fe9  1  0.33259500  0.33259500  0.00221500  1.0
  Fe  Fe10  1  0.66740500  0.66740500  0.99778500  1.0
  Fe  Fe11  1  0.50000000  0.50000000  0.50000000  1.0