data_NaMn2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.48
_cell_length_b   9.48
_cell_length_c   9.48
_cell_angle_alpha   15.92
_cell_angle_beta   15.92
_cell_angle_gamma   15.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Al
_chemical_formula_sum   'Na1 Mn2 Al1'
_cell_volume   55.79
_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  Na3  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.73  1.0
  Mn  Mn2  1  0.0  0.0  0.33  1.0
  Al  Al0  1  0.0  0.0  0.03  1.0

data_NaMn2Al
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   2.62
_cell_length_c   9.48
_cell_angle_alpha   90.0
_cell_angle_beta   99.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaMn2Al
_chemical_formula_sum   'Na2 Mn4 Al2'
_cell_volume   111.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  -0.0  0.0  0.27  1.0
  Mn  Mn2  2  0.0  0.0  0.67  1.0
  Al  Al3  2  0.0  0.0  0.97  1.0

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