data_Y2GaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   42.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GaB
_chemical_formula_sum   'Y2 Ga1 B1'
_cell_volume   81.75
_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  Y2  1  0.0  0.0  0.09  1.0
  Y  Y3  1  0.88  0.0  0.06  1.0
  Ga  Ga1  1  0.88  0.0  0.27  1.0
  B  B0  1  0.0  0.0  0.55  1.0

data_Y2GaB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.13
_cell_length_c   5.65
_cell_angle_alpha   111.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2GaB
_chemical_formula_sum   'Y2 Ga1 B1'
_cell_volume   81.75
_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  0.09  0.09  1.0
  Y  Y1  1  0.12  0.06  0.06  1.0
  Ga  Ga2  1  0.12  0.27  0.27  1.0
  B  B3  1  0.0  0.55  0.55  1.0

Y Y Ga B