data_Na5Y4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.21
_cell_length_b   10.21
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na5Y4
_chemical_formula_sum   'Na10 Y8'
_cell_volume   608.45
_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
  Na  Na0  1  0.18  0.5  0.06  1.0
  Na  Na1  1  0.85  0.0  0.06  1.0
  Na  Na2  1  0.07  0.33  0.06  1.0
  Na  Na3  1  0.93  0.33  0.69  1.0
  Na  Na4  1  0.35  0.0  0.69  1.0
  Na  Na5  1  0.82  0.5  0.69  1.0
  Na  Na6  1  0.0  0.89  0.37  1.0
  Na  Na7  1  0.1  0.95  0.0  1.0
  Na  Na8  1  0.1  0.95  0.37  1.0
  Na  Na9  1  0.0  0.89  0.0  1.0
  Y  Y10  1  0.0  0.0  0.37  1.0
  Y  Y11  1  0.0  0.0  0.0  1.0
  Y  Y12  1  0.4  0.42  0.06  1.0
  Y  Y13  1  0.41  0.0  0.06  1.0
  Y  Y14  1  0.29  0.42  0.06  1.0
  Y  Y15  1  0.71  0.42  0.69  1.0
  Y  Y16  1  0.79  0.0  0.69  1.0
  Y  Y17  1  0.6  0.42  0.69  1.0

data_Na5Y4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.75
_cell_length_b   10.21
_cell_length_c   10.21
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na5Y4
_chemical_formula_sum   'Na10 Y8'
_cell_volume   608.45
_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
  Na  Na0  1  -0.0  0.1  0.95  1.0
  Na  Na1  1  -0.0  -0.0  0.89  1.0
  Na  Na2  1  0.06  0.07  0.33  1.0
  Na  Na3  1  0.06  0.18  0.5  1.0
  Na  Na4  1  0.06  0.85  0.0  1.0
  Na  Na5  1  0.37  -0.0  0.89  1.0
  Na  Na6  1  0.37  0.1  0.95  1.0
  Na  Na7  1  0.69  0.35  0.0  1.0
  Na  Na8  1  0.69  0.82  0.5  1.0
  Na  Na9  1  0.69  0.93  0.33  1.0
  Y  Y10  1  0.0  0.0  0.0  1.0
  Y  Y11  1  0.06  0.29  0.42  1.0
  Y  Y12  1  0.06  0.4  0.42  1.0
  Y  Y13  1  0.06  0.41  0.0  1.0
  Y  Y14  1  0.37  0.0  0.0  1.0
  Y  Y15  1  0.69  0.6  0.42  1.0
  Y  Y16  1  0.69  0.71  0.42  1.0
  Y  Y17  1  0.69  0.79  0.0  1.0

Na Na Na Na Na Na Na Na Na Na Y Y Y Y Y Y Y Y
Na Na Na Na Na Na Na Na Na Na Y Y Y Y Y Y Y Y 0 2 o o o 0 14 o o o 1 11 + o o 1 16 o o - 2 3 - o - 3 15 o o o 3 5 o o o 3 16 o o o 4 8 o - o 4 7 o - + 4 13 o o + 5 15 o o o 6 8 o o o 6 10 o + o 7 9 o o o 7 13 o + o 9 11 o + o 10 16 - o o 11 16 - o - 12 14 o o o 15 17 o o o 