data_YB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   4.78
_cell_angle_alpha   105.06
_cell_angle_beta   105.06
_cell_angle_gamma   55.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YB3
_chemical_formula_sum   'Y1 B3'
_cell_volume   43.82
_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  0.31  0.0  0.28  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.22  0.0  0.11  1.0
  B  B2  1  0.4  0.0  0.46  1.0

data_YB3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.41
_cell_length_c   4.78
_cell_angle_alpha   105.06
_cell_angle_beta   90.0
_cell_angle_gamma   117.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YB3
_chemical_formula_sum   'Y1 B3'
_cell_volume   43.82
_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  0.69  0.72  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.0  0.6  0.54  1.0
  B  B3  1  0.0  0.78  0.89  1.0

Y B B B