data_Y3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   149.29
_cell_angle_beta   134.44
_cell_angle_gamma   55.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3B
_chemical_formula_sum   'Y3 B1'
_cell_volume   98.14
_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  Y1  1  0.0  0.51  0.66  1.0
  Y  Y2  1  0.0  0.0  0.72  1.0
  Y  Y3  1  0.71  0.0  0.06  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Y3B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.01
_cell_length_c   6.47
_cell_angle_alpha   112.78
_cell_angle_beta   105.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3B
_chemical_formula_sum   'Y3 B1'
_cell_volume   98.14
_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  0.06  0.35  1.0
  Y  Y1  1  0.0  0.72  0.72  1.0
  Y  Y2  1  0.49  0.15  0.15  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Y Y Y B