data_Mn2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   4.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Al
_chemical_formula_sum   'Mn4 Al2'
_cell_volume   70.79
_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  Mn2  1  0.42  0.02  0.07  1.0
  Mn  Mn3  1  0.42  0.97  0.07  1.0
  Mn  Mn4  1  0.42  0.03  0.02  1.0
  Mn  Mn5  1  0.42  0.98  0.02  1.0
  Al  Al0  1  0.42  0.99  0.07  1.0
  Al  Al1  1  0.42  0.01  0.02  1.0

data_Mn2Al
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.84
_cell_length_b   4.1
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   103.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mn2Al
_chemical_formula_sum   'Mn4 Al2'
_cell_volume   70.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.02  0.48  0.52  1.0
  Mn  Mn1  2  0.03  0.52  0.53  1.0
  Al  Al2  2  0.01  0.52  0.51  1.0

Mn Mn Mn Mn Al Al