data_Na2LiSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   133.89
_cell_angle_beta   133.89
_cell_angle_gamma   67.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LiSi
_chemical_formula_sum   'Na2 Li1 Si1'
_cell_volume   85.24
_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  0.16  0.0  0.29  1.0
  Na  Na2  1  0.0  0.16  0.29  1.0
  Li  Li0  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.0  0.0  0.58  1.0

data_Na2LiSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   123.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2LiSi
_chemical_formula_sum   'Na4 Li2 Si2'
_cell_volume   170.47
_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  4  0.42  0.42  0.14  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  Si  Si2  2  0.0  0.0  0.58  1.0

Na Na Li Si
Na Na Li Si 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o - 