data_Y2FeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   149.42
_cell_angle_beta   136.93
_cell_angle_gamma   53.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2FeSb
_chemical_formula_sum   'Y2 Fe1 Sb1'
_cell_volume   93.44
_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  Y2  1  0.0  0.0  0.04  1.0
  Y  Y3  1  0.71  0.0  0.41  1.0
  Fe  Fe0  1  0.0  0.0  0.9  1.0
  Sb  Sb1  1  0.0  0.37  0.18  1.0

data_Y2FeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.75
_cell_length_c   6.47
_cell_angle_alpha   111.54
_cell_angle_beta   105.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2FeSb
_chemical_formula_sum   'Y2 Fe1 Sb1'
_cell_volume   93.44
_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  0.0  0.04  0.04  1.0
  Y  Y1  1  0.0  0.41  0.7  1.0
  Fe  Fe2  1  0.0  0.9  0.9  1.0
  Sb  Sb3  1  0.63  0.81  0.81  1.0

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