data_Pm(Mg4Al3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.28
_cell_length_b   9.28
_cell_length_c   9.09
_cell_angle_alpha   109.58
_cell_angle_beta   109.58
_cell_angle_gamma   110.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pm(Mg4Al3)4
_chemical_formula_sum   'Pm1 Mg16 Al12'
_cell_volume   596.7
_cell_formula_units_Z   1
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
  Pm  Pm28  1  0.54  0.0  0.42  1.0
  Mg  Mg12  1  0.06  0.0  0.81  1.0
  Mg  Mg13  1  0.98  0.0  0.03  1.0
  Mg  Mg14  1  0.88  0.0  0.0  1.0
  Mg  Mg15  1  0.82  0.0  0.67  1.0
  Mg  Mg16  1  0.74  0.65  0.02  1.0
  Mg  Mg17  1  0.85  0.59  0.91  1.0
  Mg  Mg18  1  0.54  0.55  0.47  1.0
  Mg  Mg19  1  0.83  0.45  0.01  1.0
  Mg  Mg20  1  0.78  0.94  0.33  1.0
  Mg  Mg21  1  0.8  0.53  0.05  1.0
  Mg  Mg22  1  0.8  0.47  0.05  1.0
  Mg  Mg23  1  0.78  0.06  0.33  1.0
  Mg  Mg24  1  0.83  0.55  0.01  1.0
  Mg  Mg25  1  0.54  0.45  0.47  1.0
  Mg  Mg26  1  0.85  0.41  0.91  1.0
  Mg  Mg27  1  0.74  0.35  0.02  1.0
  Al  Al0  1  0.51  0.0  0.91  1.0
  Al  Al1  1  0.66  0.0  0.23  1.0
  Al  Al2  1  0.91  0.63  0.07  1.0
  Al  Al3  1  0.34  0.2  0.68  1.0
  Al  Al4  1  0.42  0.58  0.62  1.0
  Al  Al5  1  0.99  0.88  0.99  1.0
  Al  Al6  1  0.96  0.26  0.37  1.0
  Al  Al7  1  0.96  0.74  0.37  1.0
  Al  Al8  1  0.99  0.12  0.99  1.0
  Al  Al9  1  0.42  0.42  0.62  1.0
  Al  Al10  1  0.34  0.8  0.68  1.0
  Al  Al11  1  0.91  0.37  0.07  1.0

data_Pm(Mg4Al3)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   9.09
_cell_length_b   9.1
_cell_length_c   9.28
_cell_angle_alpha   109.6
_cell_angle_beta   109.58
_cell_angle_gamma   108.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pm(Mg4Al3)4
_chemical_formula_sum   'Pm1 Mg16 Al12'
_cell_volume   596.7
_cell_formula_units_Z   1
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
  Pm  Pm0  1  0.42  0.0  0.54  1.0
  Mg  Mg1  1  0.0  0.0  0.88  1.0
  Mg  Mg2  1  0.02  0.55  0.08  1.0
  Mg  Mg3  1  0.03  0.0  0.98  1.0
  Mg  Mg4  1  0.27  0.94  0.72  1.0
  Mg  Mg5  1  0.32  0.41  0.26  1.0
  Mg  Mg6  1  0.38  0.35  0.09  1.0
  Mg  Mg7  1  0.38  0.06  0.84  1.0
  Mg  Mg8  1  0.46  0.45  0.28  1.0
  Mg  Mg9  1  0.5  0.59  0.45  1.0
  Mg  Mg10  1  0.53  0.47  0.27  1.0
  Mg  Mg11  1  0.56  0.55  0.38  1.0
  Mg  Mg12  1  0.58  0.53  0.32  1.0
  Mg  Mg13  1  0.67  0.0  0.82  1.0
  Mg  Mg14  1  0.67  0.65  0.39  1.0
  Mg  Mg15  1  0.81  0.0  0.06  1.0
  Mg  Mg16  1  0.92  0.45  0.99  1.0
  Al  Al17  1  0.04  0.42  0.84  1.0
  Al  Al18  1  0.11  0.12  0.11  1.0
  Al  Al19  1  0.11  0.74  0.7  1.0
  Al  Al20  1  0.2  0.58  0.99  1.0
  Al  Al21  1  0.23  0.0  0.66  1.0
  Al  Al22  1  0.44  0.37  0.29  1.0
  Al  Al23  1  0.48  0.8  0.13  1.0
  Al  Al24  1  0.63  0.26  0.22  1.0
  Al  Al25  1  0.69  0.63  0.54  1.0
  Al  Al26  1  0.87  0.88  0.87  1.0
  Al  Al27  1  0.89  0.2  0.54  1.0
  Al  Al28  1  0.91  0.0  0.51  1.0

Pm Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Al Al Al Al Al Al Al Al Al Al Al Al
Pm Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Mg Al Al Al Al Al Al Al Al Al Al Al Al 0 9 o - o 0 18 o o o 0 12 o o o 0 4 o o o 1 22 - - o 1 4 - o o 1 2 - o + 1 25 - o o 2 3 o o o 2 22 o - - 2 25 o o - 3 25 o o - 4 25 o o o 5 19 o o o 5 13 o o o 5 10 o o o 5 24 o o o 6 13 o o + 6 19 o o + 7 14 o o o 8 11 o o o 8 15 o o - 8 16 o o o 8 24 o o o 8 28 o o o 9 12 o + o 9 24 o o o 10 11 o o o 10 13 o o o 10 24 o o o 11 16 o o o 11 24 o o o 11 28 o o o 12 18 o o o 12 23 o o o 13 19 o o o 13 24 o o o 15 28 o o + 16 28 o o o 17 27 o - o 19 24 o o o 20 26 o o o 21 26 o o o 