data_NaMg2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   146.79
_cell_angle_beta   128.65
_cell_angle_gamma   62.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2Al
_chemical_formula_sum   'Na1 Mg2 Al1'
_cell_volume   93.29
_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
  Mg  Mg1  1  0.73  0.0  0.8  1.0
  Mg  Mg2  1  0.0  0.62  0.37  1.0
  Al  Al0  1  0.0  0.0  0.16  1.0

data_NaMg2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   5.23
_cell_length_c   6.04
_cell_angle_alpha   115.67
_cell_angle_beta   106.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2Al
_chemical_formula_sum   'Na1 Mg2 Al1'
_cell_volume   93.29
_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  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.8  0.07  1.0
  Mg  Mg2  1  0.38  0.75  0.75  1.0
  Al  Al3  1  0.0  0.16  0.16  1.0

Na Mg Mg Al