data_YB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YB2
_chemical_formula_sum   'Y4 B8'
_cell_volume   150.33
_cell_formula_units_Z   4
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  Y8  1  0.65  0.53  0.14  1.0
  Y  Y9  1  0.0  0.06  0.06  1.0
  Y  Y10  1  0.0  0.06  0.03  1.0
  Y  Y11  1  0.65  0.53  0.11  1.0
  B  B0  1  0.0  0.0  0.09  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.75  0.08  0.63  1.0
  B  B3  1  0.9  0.52  0.54  1.0
  B  B4  1  0.25  0.08  0.63  1.0
  B  B5  1  0.0  0.04  0.63  1.0
  B  B6  1  0.65  0.56  0.54  1.0
  B  B7  1  0.41  0.52  0.54  1.0

data_YB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YB2
_chemical_formula_sum   'Y4 B8'
_cell_volume   150.33
_cell_formula_units_Z   4
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  0.06  0.03  1.0
  Y  Y1  1  0.0  0.06  0.06  1.0
  Y  Y2  1  0.65  0.53  0.11  1.0
  Y  Y3  1  0.65  0.53  0.14  1.0
  B  B4  1  0.0  0.0  0.0  1.0
  B  B5  1  0.0  0.0  0.09  1.0
  B  B6  1  0.0  0.04  0.63  1.0
  B  B7  1  0.25  0.08  0.63  1.0
  B  B8  1  0.41  0.52  0.54  1.0
  B  B9  1  0.65  0.56  0.54  1.0
  B  B10  1  0.75  0.08  0.63  1.0
  B  B11  1  0.9  0.52  0.54  1.0

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