data_YFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   150.21
_cell_angle_beta   147.17
_cell_angle_gamma   44.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2
_chemical_formula_sum   'Y2 Fe4'
_cell_volume   103.94
_cell_formula_units_Z   2
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  Y4  1  0.0  0.03  0.47  1.0
  Y  Y5  1  0.87  0.03  0.27  1.0
  Fe  Fe0  1  0.0  0.03  0.57  1.0
  Fe  Fe1  1  0.0  0.03  0.77  1.0
  Fe  Fe2  1  0.87  0.03  0.96  1.0
  Fe  Fe3  1  0.87  0.03  0.17  1.0

data_YFe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.75
_cell_length_b   4.12
_cell_length_c   7.29
_cell_angle_alpha   106.41
_cell_angle_beta   104.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YFe2
_chemical_formula_sum   'Y2 Fe4'
_cell_volume   103.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.5  0.1  0.04  1.0
  Fe  Fe1  2  0.5  0.2  0.14  1.0
  Fe  Fe2  2  0.5  0.41  0.34  1.0

Y Y Fe Fe Fe Fe
Y Y Fe Fe Fe Fe 0 1 - o o 0 2 o o o 1 5 o o o 2 3 o o o 4 5 o o + 