data_NaScSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   138.61
_cell_angle_beta   138.61
_cell_angle_gamma   59.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScSb2
_chemical_formula_sum   'Na1 Sc1 Sb2'
_cell_volume   97.34
_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
  Sc  Sc3  1  0.0  0.15  0.63  1.0
  Sb  Sb1  1  0.15  0.0  0.63  1.0
  Sb  Sb2  1  0.0  0.0  0.27  1.0

data_NaScSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   6.08
_cell_angle_alpha   110.7
_cell_angle_beta   110.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScSb2
_chemical_formula_sum   'Na1 Sc1 Sb2'
_cell_volume   97.34
_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
  Sc  Sc1  1  0.52  0.15  0.52  1.0
  Sb  Sb2  1  0.37  0.0  0.52  1.0
  Sb  Sb3  1  0.73  0.0  0.73  1.0

Na Sc Sb Sb
Na Sc Sb Sb 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 