data_Y2B5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   16.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2B5
_chemical_formula_sum   'Y4 B10'
_cell_volume   154.17
_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
  Y  Y10  1  0.0  0.87  0.8  1.0
  Y  Y11  1  0.62  0.93  0.3  1.0
  Y  Y12  1  0.62  0.93  0.19  1.0
  Y  Y13  1  0.0  0.87  0.69  1.0
  B  B0  1  0.0  0.87  0.06  1.0
  B  B1  1  0.62  0.93  0.55  1.0
  B  B2  1  0.62  0.93  0.94  1.0
  B  B3  1  0.0  0.87  0.44  1.0
  B  B4  1  0.0  0.87  0.25  1.0
  B  B5  1  0.62  0.93  0.74  1.0
  B  B6  1  0.0  0.0  0.74  1.0
  B  B7  1  0.0  0.0  0.25  1.0
  B  B8  1  0.0  0.0  0.5  1.0
  B  B9  1  0.0  0.0  0.0  1.0

data_Y2B5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   16.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2B5
_chemical_formula_sum   'Y4 B10'
_cell_volume   154.17
_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
  Y  Y0  1  -0.0  0.87  0.69  1.0
  Y  Y1  1  -0.0  0.87  0.8  1.0
  Y  Y2  1  0.62  0.93  0.19  1.0
  Y  Y3  1  0.62  0.93  0.3  1.0
  B  B4  1  -0.0  0.87  0.06  1.0
  B  B5  1  -0.0  0.87  0.25  1.0
  B  B6  1  -0.0  0.87  0.44  1.0
  B  B7  1  0.0  0.0  0.0  1.0
  B  B8  1  0.0  0.0  0.25  1.0
  B  B9  1  0.0  0.0  0.5  1.0
  B  B10  1  0.0  0.0  0.74  1.0
  B  B11  1  0.62  0.93  0.55  1.0
  B  B12  1  0.62  0.93  0.74  1.0
  B  B13  1  0.62  0.93  0.94  1.0

Y Y Y Y B B B B B B B B B B
Y Y Y Y B B B B B B B B B B 0 10 o + o 1 8 + o o 1 11 + + o 2 8 + o o 2 11 + + o 3 10 o + o 4 13 o + o 5 12 + + o 6 13 + + + 7 12 o + o 8 11 o + o 9 10 + + o 