data_Na2TaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   126.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaSb
_chemical_formula_sum   'Na2 Ta1 Sb1'
_cell_volume   93.64
_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  0.41  0.22  0.49  1.0
  Na  Na1  1  0.41  0.78  0.49  1.0
  Ta  Ta3  1  0.83  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0

data_Na2TaSb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.65
_cell_length_b   2.98
_cell_length_c   6.23
_cell_angle_alpha   90.0
_cell_angle_beta   116.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Na2TaSb
_chemical_formula_sum   'Na2 Ta1 Sb1'
_cell_volume   93.64
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.22  0.5  0.81  1.0
  Na  Na1  1  0.78  0.5  0.37  1.0
  Ta  Ta2  1  0.0  0.0  0.17  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Na Na Ta Sb