data_LiGaB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   6.73
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   114.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaB3
_chemical_formula_sum   'Li4 Ga4 B12'
_cell_volume   234.84
_cell_formula_units_Z   4
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
  Li  Li16  1  0.0  0.0  0.0  1.0
  Li  Li17  1  0.0  0.36  0.0  1.0
  Li  Li18  1  0.64  0.0  0.92  1.0
  Li  Li19  1  0.64  0.36  0.92  1.0
  Ga  Ga12  1  0.08  0.68  0.42  1.0
  Ga  Ga13  1  0.19  0.04  0.42  1.0
  Ga  Ga14  1  0.67  0.68  0.84  1.0
  Ga  Ga15  1  0.6  0.04  1.0  1.0
  B  B0  1  0.81  0.68  0.56  1.0
  B  B1  1  0.47  0.04  0.27  1.0
  B  B2  1  0.62  0.39  0.56  1.0
  B  B3  1  0.65  0.03  0.28  1.0
  B  B4  1  0.65  0.33  0.28  1.0
  B  B5  1  0.62  0.69  0.56  1.0
  B  B6  1  0.49  0.68  0.44  1.0
  B  B7  1  0.78  0.04  0.4  1.0
  B  B8  1  0.35  0.23  0.88  1.0
  B  B9  1  0.92  0.6  0.96  1.0
  B  B10  1  0.92  0.49  0.96  1.0
  B  B11  1  0.35  0.13  0.88  1.0

data_LiGaB3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.98
_cell_length_b   6.44
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaB3
_chemical_formula_sum   'Li4 Ga4 B12'
_cell_volume   234.84
_cell_formula_units_Z   4
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
  Li  Li0  1  0.0  -0.0  0.64  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Li  Li2  1  0.36  0.08  0.0  1.0
  Li  Li3  1  0.36  0.08  0.64  1.0
  Ga  Ga4  1  0.33  0.16  0.32  1.0
  Ga  Ga5  1  0.4  0.0  0.96  1.0
  Ga  Ga6  1  0.81  0.58  0.96  1.0
  Ga  Ga7  1  0.92  0.58  0.32  1.0
  B  B8  1  0.08  0.04  0.4  1.0
  B  B9  1  0.08  0.04  0.51  1.0
  B  B10  1  0.19  0.44  0.32  1.0
  B  B11  1  0.22  0.6  0.96  1.0
  B  B12  1  0.35  0.72  0.67  1.0
  B  B13  1  0.35  0.72  0.97  1.0
  B  B14  1  0.38  0.44  0.31  1.0
  B  B15  1  0.38  0.44  0.61  1.0
  B  B16  1  0.51  0.56  0.32  1.0
  B  B17  1  0.53  0.73  0.96  1.0
  B  B18  1  0.65  0.12  0.77  1.0
  B  B19  1  0.65  0.12  0.87  1.0

Li Li Li Li Ga Ga Ga Ga B B B B B B B B B B B B