data_NaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   7.01
_cell_angle_alpha   149.97
_cell_angle_beta   62.09
_cell_angle_gamma   127.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSi
_chemical_formula_sum   'Na3 Si3'
_cell_volume   136.53
_cell_formula_units_Z   3
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  0.58  0.66  1.0
  Na  Na1  1  0.0  0.0  1.0  1.0
  Na  Na2  1  0.82  0.43  0.53  1.0
  Si  Si3  1  0.82  0.2  0.04  1.0
  Si  Si4  1  0.82  0.8  0.04  1.0
  Si  Si5  1  0.0  0.0  0.3  1.0

data_NaSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   6.25
_cell_length_c   7.01
_cell_angle_alpha   116.48
_cell_angle_beta   105.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSi
_chemical_formula_sum   'Na3 Si3'
_cell_volume   136.53
_cell_formula_units_Z   3
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  0.58  0.92  0.92  1.0
  Na  Na2  1  0.61  0.9  0.08  1.0
  Si  Si3  1  -0.0  0.7  0.7  1.0
  Si  Si4  1  0.38  0.16  0.34  1.0
  Si  Si5  1  0.99  0.76  0.95  1.0

Na Na Na Si Si Si