data_Y5Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.88
_cell_length_b   6.88
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Sb3
_chemical_formula_sum   'Y5 Sb3'
_cell_volume   224.01
_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  0.0  1.0
  Y  Y4  1  0.09  0.73  0.0  1.0
  Y  Y5  1  0.09  0.27  0.0  1.0
  Y  Y6  1  0.4  0.0  0.45  1.0
  Y  Y7  1  0.97  0.0  0.45  1.0
  Sb  Sb0  1  0.18  0.0  0.0  1.0
  Sb  Sb1  1  0.18  0.7  0.45  1.0
  Sb  Sb2  1  0.18  0.3  0.45  1.0

data_Y5Sb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.9
_cell_length_b   6.88
_cell_length_c   6.88
_cell_angle_alpha   105.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Sb3
_chemical_formula_sum   'Y5 Sb3'
_cell_volume   224.01
_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  0.09  0.27  1.0
  Y  Y1  1  -0.0  0.09  0.73  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.45  0.4  0.0  1.0
  Y  Y4  1  0.45  0.97  0.0  1.0
  Sb  Sb5  1  -0.0  0.18  0.0  1.0
  Sb  Sb6  1  0.45  0.18  0.3  1.0
  Sb  Sb7  1  0.45  0.18  0.7  1.0

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