data_NaSi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.39
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSi2W
_chemical_formula_sum   'Na1 Si2 W1'
_cell_volume   70.91
_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
  Si  Si1  1  0.51  0.7  0.16  1.0
  Si  Si2  1  0.51  0.7  0.77  1.0
  W  W3  1  0.0  0.0  0.46  1.0

data_NaSi2W
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.39
_cell_length_b   3.02
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaSi2W
_chemical_formula_sum   'Na1 Si2 W1'
_cell_volume   70.91
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Si  Si1  1  0.7  0.5  0.16  1.0
  Si  Si2  1  0.7  0.5  0.77  1.0
  W  W3  1  0.0  0.0  0.46  1.0

Na Si Si W
Na Si Si W 0 2 - - - 0 2 o - - 0 1 - - o 0 1 o - o 0 3 o o o 1 2 o o - 1 3 + + o 1 3 o + o 2 3 o + o 2 3 + + o 2 2 + o o 3 3 + o o 3 3 o + o 