data_Mn5Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   4.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5Al3
_chemical_formula_sum   'Mn10 Al6'
_cell_volume   211.44
_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
  Mn  Mn6  1  0.6  0.08  0.35  1.0
  Mn  Mn7  1  0.0  0.16  0.0  1.0
  Mn  Mn8  1  0.0  0.16  0.35  1.0
  Mn  Mn9  1  0.6  0.08  0.0  1.0
  Mn  Mn10  1  0.24  0.79  0.53  1.0
  Mn  Mn11  1  0.16  0.45  0.18  1.0
  Mn  Mn12  1  0.84  0.45  0.53  1.0
  Mn  Mn13  1  0.53  0.0  0.53  1.0
  Mn  Mn14  1  0.68  0.0  0.18  1.0
  Mn  Mn15  1  0.76  0.79  0.18  1.0
  Al  Al0  1  0.55  0.5  0.53  1.0
  Al  Al1  1  0.84  0.74  0.18  1.0
  Al  Al2  1  0.16  0.74  0.53  1.0
  Al  Al3  1  0.89  0.0  0.53  1.0
  Al  Al4  1  0.31  0.0  0.18  1.0
  Al  Al5  1  0.45  0.5  0.18  1.0

data_Mn5Al3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   7.2
_cell_length_c   7.2
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn5Al3
_chemical_formula_sum   'Mn10 Al6'
_cell_volume   211.44
_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
  Mn  Mn0  1  0.0  -0.0  0.16  1.0
  Mn  Mn1  1  0.0  0.6  0.08  1.0
  Mn  Mn2  1  0.18  0.16  0.45  1.0
  Mn  Mn3  1  0.18  0.68  0.0  1.0
  Mn  Mn4  1  0.18  0.76  0.79  1.0
  Mn  Mn5  1  0.35  -0.0  0.16  1.0
  Mn  Mn6  1  0.35  0.6  0.08  1.0
  Mn  Mn7  1  0.53  0.24  0.79  1.0
  Mn  Mn8  1  0.53  0.53  0.0  1.0
  Mn  Mn9  1  0.53  0.84  0.45  1.0
  Al  Al10  1  0.18  0.31  0.0  1.0
  Al  Al11  1  0.18  0.45  0.5  1.0
  Al  Al12  1  0.18  0.84  0.74  1.0
  Al  Al13  1  0.53  0.16  0.74  1.0
  Al  Al14  1  0.53  0.55  0.5  1.0
  Al  Al15  1  0.53  0.89  0.0  1.0

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