data_Na2MnAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   4.94
_cell_angle_alpha   97.35
_cell_angle_beta   97.35
_cell_angle_gamma   29.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnAl
_chemical_formula_sum   'Na2 Mn1 Al1'
_cell_volume   80.49
_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
  Na  Na2  1  0.29  0.0  0.67  1.0
  Na  Na3  1  0.15  0.0  0.23  1.0
  Mn  Mn1  1  0.22  0.0  0.45  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_Na2MnAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.94
_cell_length_c   5.74
_cell_angle_alpha   97.35
_cell_angle_beta   104.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnAl
_chemical_formula_sum   'Na2 Mn1 Al1'
_cell_volume   80.49
_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
  Na  Na0  1  0.0  0.23  0.15  1.0
  Na  Na1  1  0.0  0.67  0.29  1.0
  Mn  Mn2  1  0.0  0.45  0.22  1.0
  Al  Al3  1  0.0  0.0  0.0  1.0

Na Na Mn Al
Na Na Mn Al 0 2 o o o 1 3 o o o 1 2 o o o 