data_YGaB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   3.22
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   105.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaB2
_chemical_formula_sum   'Y1 Ga1 B2'
_cell_volume   57.24
_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  0.06  0.61  0.98  1.0
  Ga  Ga2  1  0.14  0.0  0.73  1.0
  B  B0  1  0.14  0.0  0.65  1.0
  B  B1  1  0.76  0.61  0.62  1.0

data_YGaB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.04
_cell_length_c   4.55
_cell_angle_alpha   105.13
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaB2
_chemical_formula_sum   'Y1 Ga1 B2'
_cell_volume   57.24
_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  0.39  0.94  0.02  1.0
  Ga  Ga1  1  0.0  0.86  0.27  1.0
  B  B2  1  0.0  0.86  0.35  1.0
  B  B3  1  0.39  0.24  0.38  1.0

Y Ga B B