# generated using pymatgen
data_YFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15703574
_cell_length_b   5.15719096
_cell_length_c   16.04045470
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00352427
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe3
_chemical_formula_sum   'Y6 Fe18'
_cell_volume   369.44112338
_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  0.66666412  0.33333436  0.03687751  1.0
  Y  Y1  1  0.33333588  0.66666564  0.96312249  1.0
  Y  Y2  1  0.33333588  0.66666564  0.53687751  1.0
  Y  Y3  1  0.66666412  0.33333436  0.46312249  1.0
  Y  Y4  1  0.66669598  0.33330448  0.25000000  1.0
  Y  Y5  1  0.33330402  0.66669552  0.75000000  1.0
  Fe  Fe6  1  0.83397251  0.66794474  0.62959348  1.0
  Fe  Fe7  1  0.83395388  0.16604473  0.62959815  1.0
  Fe  Fe8  1  0.33205700  0.16602803  0.62959280  1.0
  Fe  Fe9  1  0.16602749  0.33205526  0.37040652  1.0
  Fe  Fe10  1  0.16604612  0.83395527  0.37040185  1.0
  Fe  Fe11  1  0.66794300  0.83397197  0.37040720  1.0
  Fe  Fe12  1  0.16602749  0.33205526  0.12959348  1.0
  Fe  Fe13  1  0.16604612  0.83395527  0.12959815  1.0
  Fe  Fe14  1  0.66794300  0.83397197  0.12959280  1.0
  Fe  Fe15  1  0.83397251  0.66794474  0.87040652  1.0
  Fe  Fe16  1  0.83395388  0.16604473  0.87040185  1.0
  Fe  Fe17  1  0.33205700  0.16602803  0.87040720  1.0
  Fe  Fe18  1  0.66663160  0.33337124  0.75000000  1.0
  Fe  Fe19  1  0.33336840  0.66662876  0.25000000  1.0
  Fe  Fe20  1  0.99995783  0.00004027  0.75000000  1.0
  Fe  Fe21  1  0.00004217  0.99995973  0.25000000  1.0
  Fe  Fe22  1  -0.00000000  -0.00000000  0.50000000  1.0
  Fe  Fe23  1  -0.00000000  -0.00000000  -0.00000000  1.0