data_Na2SrAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   128.73
_cell_angle_beta   125.05
_cell_angle_gamma   78.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrAl
_chemical_formula_sum   'Na2 Sr1 Al1'
_cell_volume   126.09
_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  Na1  1  0.0  0.72  0.52  1.0
  Na  Na2  1  0.0  0.0  0.19  1.0
  Sr  Sr3  1  0.0  0.72  0.03  1.0
  Al  Al0  1  0.0  0.0  0.93  1.0

data_Na2SrAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.09
_cell_length_b   5.43
_cell_length_c   5.89
_cell_angle_alpha   117.48
_cell_angle_beta   115.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrAl
_chemical_formula_sum   'Na2 Sr1 Al1'
_cell_volume   126.09
_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  0.19  0.19  1.0
  Na  Na1  1  0.28  0.8  0.8  1.0
  Sr  Sr2  1  0.28  0.32  0.32  1.0
  Al  Al3  1  0.0  0.93  0.93  1.0

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