data_Ga5Bi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.16
_cell_length_b   9.16
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga5Bi4
_chemical_formula_sum   'Ga10 Bi8'
_cell_volume   459.54
_cell_formula_units_Z   2
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  Ga8  1  0.13  0.43  0.75  1.0
  Ga  Ga9  1  0.89  0.0  0.75  1.0
  Ga  Ga10  1  0.56  0.5  0.75  1.0
  Ga  Ga11  1  0.44  0.5  0.58  1.0
  Ga  Ga12  1  0.27  0.0  0.58  1.0
  Ga  Ga13  1  0.87  0.43  0.58  1.0
  Ga  Ga14  1  0.0  0.29  0.16  1.0
  Ga  Ga15  1  0.58  0.64  0.0  1.0
  Ga  Ga16  1  0.58  0.64  0.16  1.0
  Ga  Ga17  1  0.0  0.29  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.16  1.0
  Bi  Bi1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.64  0.83  0.75  1.0
  Bi  Bi3  1  0.88  0.0  0.75  1.0
  Bi  Bi4  1  0.06  0.1  0.75  1.0
  Bi  Bi5  1  0.94  0.1  0.58  1.0
  Bi  Bi6  1  0.27  0.0  0.58  1.0
  Bi  Bi7  1  0.36  0.83  0.58  1.0

data_Ga5Bi4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.33
_cell_length_b   9.16
_cell_length_c   9.16
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga5Bi4
_chemical_formula_sum   'Ga10 Bi8'
_cell_volume   459.54
_cell_formula_units_Z   2
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  0.58  0.64  1.0
  Ga  Ga1  1  0.0  0.0  0.29  1.0
  Ga  Ga2  1  0.16  0.0  0.29  1.0
  Ga  Ga3  1  0.16  0.58  0.64  1.0
  Ga  Ga4  1  0.58  0.27  0.0  1.0
  Ga  Ga5  1  0.58  0.44  0.5  1.0
  Ga  Ga6  1  0.58  0.87  0.43  1.0
  Ga  Ga7  1  0.75  0.13  0.43  1.0
  Ga  Ga8  1  0.75  0.56  0.5  1.0
  Ga  Ga9  1  0.75  0.89  0.0  1.0
  Bi  Bi10  1  0.0  0.0  0.0  1.0
  Bi  Bi11  1  0.16  0.0  0.0  1.0
  Bi  Bi12  1  0.58  0.27  0.0  1.0
  Bi  Bi13  1  0.58  0.36  0.83  1.0
  Bi  Bi14  1  0.58  0.94  0.1  1.0
  Bi  Bi15  1  0.75  0.06  0.1  1.0
  Bi  Bi16  1  0.75  0.64  0.83  1.0
  Bi  Bi17  1  0.75  0.88  0.0  1.0

Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Bi Bi Bi Bi Bi Bi Bi Bi 0 9 o o + 0 5 - o o 1 13 o o o 1 12 o - o 1 14 + o o 1 15 o o o 2 3 o o o 2 5 o o o 4 16 o o o 4 17 o - o 5 6 + o o 5 9 + o + 5 15 o o o 6 9 o o o 7 8 o o o 7 12 o o - 10 11 o o o 12 13 o + o 13 14 + o o 13 15 o o o 14 15 - o o 16 17 o - o 