data_GaB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaB3
_chemical_formula_sum   'Ga6 B18'
_cell_volume   224.06
_cell_formula_units_Z   6
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
  Ga  Ga18  1  0.0  0.0  0.3  1.0
  Ga  Ga19  1  0.0  0.0  0.89  1.0
  Ga  Ga20  1  0.65  0.53  0.2  1.0
  Ga  Ga21  1  0.65  0.53  0.57  1.0
  Ga  Ga22  1  0.0  0.06  0.61  1.0
  Ga  Ga23  1  0.0  0.06  0.98  1.0
  B  B0  1  0.65  0.5  0.3  1.0
  B  B1  1  0.55  0.05  0.3  1.0
  B  B2  1  0.76  0.05  0.3  1.0
  B  B3  1  0.0  0.09  0.89  1.0
  B  B4  1  0.11  0.55  0.89  1.0
  B  B5  1  0.89  0.55  0.89  1.0
  B  B6  1  0.65  0.3  0.01  1.0
  B  B7  1  0.12  0.65  0.01  1.0
  B  B8  1  0.18  0.65  0.01  1.0
  B  B9  1  0.65  0.3  0.59  1.0
  B  B10  1  0.12  0.65  0.59  1.0
  B  B11  1  0.18  0.65  0.59  1.0
  B  B12  1  0.0  0.3  0.18  1.0
  B  B13  1  0.53  0.95  0.18  1.0
  B  B14  1  0.47  0.95  0.18  1.0
  B  B15  1  0.0  0.3  0.6  1.0
  B  B16  1  0.53  0.95  0.6  1.0
  B  B17  1  0.47  0.95  0.6  1.0

data_GaB3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   9.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaB3
_chemical_formula_sum   'Ga6 B18'
_cell_volume   224.06
_cell_formula_units_Z   6
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
  Ga  Ga0  1  -0.0  0.06  0.61  1.0
  Ga  Ga1  1  -0.0  0.06  0.98  1.0
  Ga  Ga2  1  0.0  0.0  0.3  1.0
  Ga  Ga3  1  0.0  0.0  0.89  1.0
  Ga  Ga4  1  0.65  0.53  0.2  1.0
  Ga  Ga5  1  0.65  0.53  0.57  1.0
  B  B6  1  -0.0  0.3  0.18  1.0
  B  B7  1  -0.0  0.3  0.6  1.0
  B  B8  1  -0.0  0.09  0.89  1.0
  B  B9  1  0.11  0.55  0.89  1.0
  B  B10  1  0.12  0.65  0.01  1.0
  B  B11  1  0.12  0.65  0.59  1.0
  B  B12  1  0.18  0.65  0.01  1.0
  B  B13  1  0.18  0.65  0.59  1.0
  B  B14  1  0.47  0.95  0.18  1.0
  B  B15  1  0.47  0.95  0.6  1.0
  B  B16  1  0.53  0.95  0.18  1.0
  B  B17  1  0.53  0.95  0.6  1.0
  B  B18  1  0.55  0.05  0.3  1.0
  B  B19  1  0.65  0.3  0.01  1.0
  B  B20  1  0.65  0.3  0.59  1.0
  B  B21  1  0.65  0.5  0.3  1.0
  B  B22  1  0.76  0.05  0.3  1.0
  B  B23  1  0.89  0.55  0.89  1.0

Ga Ga Ga Ga Ga Ga B B B B B B B B B B B B B B B B B B