data_Na2TaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   121.18
_cell_angle_beta   121.18
_cell_angle_gamma   87.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaSb
_chemical_formula_sum   'Na2 Ta1 Sb1'
_cell_volume   86.7
_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
  Na  Na1  1  0.45  0.0  0.8  1.0
  Ta  Ta3  1  0.0  0.45  0.8  1.0
  Sb  Sb2  1  0.0  0.0  0.6  1.0

data_Na2TaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   5.0
_cell_angle_alpha   119.41
_cell_angle_beta   119.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaSb
_chemical_formula_sum   'Na2 Ta1 Sb1'
_cell_volume   86.7
_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
  Na  Na1  1  0.2  0.0  0.66  1.0
  Ta  Ta2  1  0.66  0.45  0.66  1.0
  Sb  Sb3  1  0.4  0.0  0.4  1.0

Na Na Ta Sb