data_YZn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.31
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Fe
_chemical_formula_sum   'Y1 Zn2 Fe1'
_cell_volume   71.08
_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  Y1  1  0.57  0.66  0.97  1.0
  Zn  Zn2  1  0.0  0.0  0.36  1.0
  Zn  Zn3  1  0.57  0.66  0.85  1.0
  Fe  Fe0  1  0.0  0.0  0.09  1.0

data_YZn2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.31
_cell_length_c   6.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn2Fe
_chemical_formula_sum   'Y1 Zn2 Fe1'
_cell_volume   71.08
_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  0.57  0.66  0.97  1.0
  Zn  Zn1  1  0.0  0.0  0.36  1.0
  Zn  Zn2  1  0.57  0.66  0.85  1.0
  Fe  Fe3  1  0.0  0.0  0.09  1.0

Y Zn Zn Fe
Y Zn Zn Fe 0 2 o o o 0 3 + + + 0 3 o + + 1 3 o o o 