data_NaGaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   3.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaSi
_chemical_formula_sum   'Na1 Ga1 Si1'
_cell_volume   56.33
_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  0.0  0.0  1.0
  Ga  Ga0  1  0.32  0.34  0.52  1.0
  Si  Si2  1  0.0  0.67  0.52  1.0

data_NaGaSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaSi
_chemical_formula_sum   'Na1 Ga1 Si1'
_cell_volume   56.33
_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
  Ga  Ga1  1  0.52  0.32  0.34  1.0
  Si  Si2  1  0.52  0.0  0.67  1.0

Na Ga Si
Na Ga Si 0 2 o - - 0 2 o - o 0 1 o o - 0 1 o o o 