data_NaLaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   4.74
_cell_angle_alpha   113.09
_cell_angle_beta   113.09
_cell_angle_gamma   37.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaSi2
_chemical_formula_sum   'Na1 La1 Si2'
_cell_volume   92.8
_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  0.95  0.0  0.04  1.0
  La  La0  1  0.85  0.0  0.26  1.0
  Si  Si2  1  0.78  0.0  0.1  1.0
  Si  Si3  1  0.82  0.0  0.39  1.0

data_NaLaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.74
_cell_length_c   5.97
_cell_angle_alpha   113.09
_cell_angle_beta   108.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaSi2
_chemical_formula_sum   'Na1 La1 Si2'
_cell_volume   92.8
_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  0.04  0.95  1.0
  La  La1  1  0.0  0.26  0.85  1.0
  Si  Si2  1  0.0  0.1  0.78  1.0
  Si  Si3  1  0.0  0.39  0.82  1.0

Na La Si Si
Na La Si Si 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 