data_Na2AlSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   125.43
_cell_angle_beta   125.43
_cell_angle_gamma   80.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlSi
_chemical_formula_sum   'Na2 Al1 Si1'
_cell_volume   81.95
_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  0.31  0.92  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.84  1.0
  Si  Si3  1  0.31  0.0  0.92  1.0

data_Na2AlSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.04
_cell_angle_alpha   117.28
_cell_angle_beta   117.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2AlSi
_chemical_formula_sum   'Na2 Al1 Si1'
_cell_volume   81.95
_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
  Na  Na1  1  0.61  0.92  0.61  1.0
  Al  Al2  1  0.84  0.84  0.84  1.0
  Si  Si3  1  0.92  0.61  0.61  1.0

Na Na Al Si