data_MgMnAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   4.56
_cell_angle_alpha   108.26
_cell_angle_beta   108.26
_cell_angle_gamma   33.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnAl2
_chemical_formula_sum   'Mg1 Mn1 Al2'
_cell_volume   62.67
_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
  Mg  Mg2  1  0.26  0.0  0.19  1.0
  Mn  Mn3  1  0.4  0.0  0.31  1.0
  Al  Al0  1  0.17  0.0  0.22  1.0
  Al  Al1  1  0.9  0.0  0.06  1.0

data_MgMnAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.56
_cell_length_c   5.11
_cell_angle_alpha   108.26
_cell_angle_beta   106.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnAl2
_chemical_formula_sum   'Mg1 Mn1 Al2'
_cell_volume   62.67
_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
  Mg  Mg0  1  0.0  0.19  0.26  1.0
  Mn  Mn1  1  0.0  0.31  0.4  1.0
  Al  Al2  1  0.0  0.06  0.9  1.0
  Al  Al3  1  0.0  0.22  0.17  1.0

Mg Mn Al Al
Mg Mn Al Al 0 2 o o o 0 1 o o o 2 3 - o o 