data_Y2Fe6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61
_cell_length_b   7.61
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Fe6Sb
_chemical_formula_sum   'Y2 Fe6 Sb1'
_cell_volume   150.0
_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  Y7  1  0.0  0.39  0.5  1.0
  Y  Y8  1  0.8  0.2  0.5  1.0
  Fe  Fe0  1  0.04  0.0  0.0  1.0
  Fe  Fe1  1  0.48  0.37  0.0  1.0
  Fe  Fe2  1  0.28  0.22  0.0  1.0
  Fe  Fe3  1  0.18  0.0  0.5  1.0
  Fe  Fe4  1  0.91  0.89  0.5  1.0
  Fe  Fe5  1  0.72  0.7  0.5  1.0
  Sb  Sb6  1  0.0  0.0  0.0  1.0

data_Y2Fe6Sb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   7.61
_cell_length_b   2.99
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Y2Fe6Sb
_chemical_formula_sum   'Y2 Fe6 Sb1'
_cell_volume   150.0
_cell_formula_units_Z   1
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  1  0.0  0.5  0.39  1.0
  Y  Y1  1  0.8  0.5  0.2  1.0
  Fe  Fe2  1  0.04  0.0  0.0  1.0
  Fe  Fe3  1  0.18  0.5  0.0  1.0
  Fe  Fe4  1  0.28  0.0  0.22  1.0
  Fe  Fe5  1  0.48  0.0  0.37  1.0
  Fe  Fe6  1  0.72  0.5  0.7  1.0
  Fe  Fe7  1  0.91  0.5  0.89  1.0
  Sb  Sb8  1  0.0  0.0  0.0  1.0

Y Y Fe Fe Fe Fe Fe Fe Sb
Y Y Fe Fe Fe Fe Fe Fe Sb 0 1 - o o 2 8 o o o 2 5 o o o 2 5 o o - 2 6 - - o 2 6 - - - 3 4 o o o 4 5 o o o 4 5 o o - 5 6 - - o 5 8 o o o 5 8 o o + 6 7 o o o 6 8 + + o 6 8 + + + 