data_Mg5Ga3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.43
_cell_length_b   8.43
_cell_length_c   8.43
_cell_angle_alpha   96.73
_cell_angle_beta   96.73
_cell_angle_gamma   139.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Ga3
_chemical_formula_sum   'Mg10 Ga6'
_cell_volume   361.65
_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
  Mg  Mg6  1  0.0  0.6  0.44  1.0
  Mg  Mg7  1  0.6  0.0  0.44  1.0
  Mg  Mg8  1  0.43  0.1  0.0  1.0
  Mg  Mg9  1  0.17  0.5  0.88  1.0
  Mg  Mg10  1  0.83  0.5  0.0  1.0
  Mg  Mg11  1  0.77  0.1  0.88  1.0
  Mg  Mg12  1  0.7  0.83  0.0  1.0
  Mg  Mg13  1  0.9  0.77  0.88  1.0
  Mg  Mg14  1  0.5  0.83  0.88  1.0
  Mg  Mg15  1  0.1  0.77  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.44  1.0
  Ga  Ga1  1  0.0  0.0  0.33  1.0
  Ga  Ga2  1  0.9  0.7  0.88  1.0
  Ga  Ga3  1  0.7  0.9  0.0  1.0
  Ga  Ga4  1  0.9  0.5  0.0  1.0
  Ga  Ga5  1  0.7  0.1  0.88  1.0

data_Mg5Ga3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.77
_cell_length_b   8.43
_cell_length_c   8.43
_cell_angle_alpha   83.27
_cell_angle_beta   69.98
_cell_angle_gamma   69.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Ga3
_chemical_formula_sum   'Mg10 Ga6'
_cell_volume   361.65
_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
  Mg  Mg0  1  0.1  0.0  0.33  1.0
  Mg  Mg1  1  0.16  0.44  0.4  1.0
  Mg  Mg2  1  0.22  0.88  0.67  1.0
  Mg  Mg3  1  0.5  0.0  0.33  1.0
  Mg  Mg4  1  0.56  0.44  0.6  1.0
  Mg  Mg5  1  0.61  0.88  0.67  1.0
  Mg  Mg6  1  0.77  0.0  0.33  1.0
  Mg  Mg7  1  0.83  0.0  0.87  1.0
  Mg  Mg8  1  0.88  0.88  0.13  1.0
  Mg  Mg9  1  0.95  0.88  0.67  1.0
  Ga  Ga10  1  0.21  0.88  0.6  1.0
  Ga  Ga11  1  0.5  0.0  0.4  1.0
  Ga  Ga12  1  0.56  0.44  0.0  1.0
  Ga  Ga13  1  0.67  0.33  0.0  1.0
  Ga  Ga14  1  0.81  0.88  0.21  1.0
  Ga  Ga15  1  0.9  0.0  0.79  1.0

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