data_NaTaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   3.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaSn
_chemical_formula_sum   'Na1 Ta1 Sn1'
_cell_volume   64.18
_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  0.09  1.0
  Ta  Ta2  1  0.48  0.43  0.88  1.0
  Sn  Sn1  1  0.0  0.86  0.04  1.0

data_NaTaSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaSn
_chemical_formula_sum   'Na1 Ta1 Sn1'
_cell_volume   64.18
_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  0.09  0.0  0.0  1.0
  Ta  Ta1  1  0.88  0.48  0.43  1.0
  Sn  Sn2  1  0.04  0.0  0.86  1.0

Na Ta Sn
Na Ta Sn 0 2 o - o 0 1 o o - 0 1 - - - 1 2 o - + 1 2 + o + 