data_Ga4Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92
_cell_length_b   8.92
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga4Sn5
_chemical_formula_sum   'Ga8 Sn10'
_cell_volume   431.35
_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  0.0  0.13  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.35  0.85  0.7  1.0
  Ga  Ga3  1  0.81  0.87  0.7  1.0
  Ga  Ga4  1  0.29  0.0  0.7  1.0
  Ga  Ga5  1  0.19  0.87  0.57  1.0
  Ga  Ga6  1  0.65  0.85  0.57  1.0
  Ga  Ga7  1  0.63  0.0  0.57  1.0
  Sn  Sn8  1  0.87  0.42  0.7  1.0
  Sn  Sn9  1  0.33  0.3  0.7  1.0
  Sn  Sn10  1  0.26  0.0  0.7  1.0
  Sn  Sn11  1  0.67  0.3  0.57  1.0
  Sn  Sn12  1  0.13  0.42  0.57  1.0
  Sn  Sn13  1  0.66  0.0  0.57  1.0
  Sn  Sn14  1  0.46  0.57  0.13  1.0
  Sn  Sn15  1  0.0  0.15  0.0  1.0
  Sn  Sn16  1  0.0  0.15  0.13  1.0
  Sn  Sn17  1  0.46  0.57  0.0  1.0

data_Ga4Sn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.26
_cell_length_b   8.92
_cell_length_c   8.92
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga4Sn5
_chemical_formula_sum   'Ga8 Sn10'
_cell_volume   431.35
_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  0.0  0.0  1.0
  Ga  Ga1  1  0.13  0.0  0.0  1.0
  Ga  Ga2  1  0.57  0.19  0.87  1.0
  Ga  Ga3  1  0.57  0.63  0.0  1.0
  Ga  Ga4  1  0.57  0.65  0.85  1.0
  Ga  Ga5  1  0.7  0.29  0.0  1.0
  Ga  Ga6  1  0.7  0.35  0.85  1.0
  Ga  Ga7  1  0.7  0.81  0.87  1.0
  Sn  Sn8  1  0.0  -0.0  0.15  1.0
  Sn  Sn9  1  0.0  0.46  0.57  1.0
  Sn  Sn10  1  0.13  -0.0  0.15  1.0
  Sn  Sn11  1  0.13  0.46  0.57  1.0
  Sn  Sn12  1  0.57  0.13  0.42  1.0
  Sn  Sn13  1  0.57  0.66  0.0  1.0
  Sn  Sn14  1  0.57  0.67  0.3  1.0
  Sn  Sn15  1  0.7  0.26  0.0  1.0
  Sn  Sn16  1  0.7  0.33  0.3  1.0
  Sn  Sn17  1  0.7  0.87  0.42  1.0

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