data_NaBi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   140.98
_cell_angle_beta   130.51
_cell_angle_gamma   64.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBi2Sb
_chemical_formula_sum   'Na1 Bi2 Sb1'
_cell_volume   118.35
_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  Na2  1  0.0  0.0  0.35  1.0
  Bi  Bi0  1  0.0  0.0  0.58  1.0
  Bi  Bi1  1  0.11  0.0  0.59  1.0
  Sb  Sb3  1  0.0  0.64  0.78  1.0

data_NaBi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   5.28
_cell_length_c   6.3
_cell_angle_alpha   114.74
_cell_angle_beta   109.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBi2Sb
_chemical_formula_sum   'Na1 Bi2 Sb1'
_cell_volume   118.35
_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  0.65  0.65  0.65  1.0
  Bi  Bi1  1  0.42  0.42  0.42  1.0
  Bi  Bi2  1  0.52  0.41  0.52  1.0
  Sb  Sb3  1  0.22  0.86  0.86  1.0

Na Bi Bi Sb
Na Bi Bi Sb 0 2 o o o 0 3 o - - 0 3 o o o 1 2 o o o 