data_YFe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   131.68
_cell_angle_beta   131.68
_cell_angle_gamma   70.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Sb
_chemical_formula_sum   'Y1 Fe2 Sb1'
_cell_volume   74.39
_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  Y3  1  0.0  0.0  0.2  1.0
  Fe  Fe0  1  0.0  0.11  0.1  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.11  0.0  0.1  1.0

data_YFe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.14
_cell_angle_alpha   114.16
_cell_angle_beta   114.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Sb
_chemical_formula_sum   'Y1 Fe2 Sb1'
_cell_volume   74.39
_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  0.8  0.0  0.8  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.01  0.11  0.01  1.0
  Sb  Sb3  1  0.9  0.0  0.01  1.0

Y Fe Fe Sb
Y Fe Fe Sb 0 1 o o o 0 3 o o o 0 2 o o o 1 2 o o o 2 3 o o o 