data_Na2GaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92
_cell_length_b   5.92
_cell_length_c   5.92
_cell_angle_alpha   137.93
_cell_angle_beta   129.21
_cell_angle_gamma   68.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2GaSb
_chemical_formula_sum   'Na2 Ga1 Sb1'
_cell_volume   105.89
_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  0.13  0.0  0.17  1.0
  Na  Na2  1  0.0  0.0  0.26  1.0
  Ga  Ga0  1  0.0  0.0  0.74  1.0
  Sb  Sb3  1  0.13  0.0  0.55  1.0

data_Na2GaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   5.08
_cell_length_c   5.92
_cell_angle_alpha   115.39
_cell_angle_beta   111.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2GaSb
_chemical_formula_sum   'Na2 Ga1 Sb1'
_cell_volume   105.89
_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  0.74  0.74  0.74  1.0
  Na  Na1  1  0.95  0.83  0.95  1.0
  Ga  Ga2  1  0.26  0.26  0.26  1.0
  Sb  Sb3  1  0.57  0.45  0.57  1.0

Na Na Ga Sb
Na Na Ga Sb 0 1 o o o 1 3 o o o 2 3 o o o 