data_NaTaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaSn2
_chemical_formula_sum   'Na1 Ta1 Sn2'
_cell_volume   87.25
_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
  Ta  Ta3  1  0.38  0.0  0.0  1.0
  Sn  Sn1  1  0.69  0.9  0.54  1.0
  Sn  Sn2  1  0.69  0.1  0.54  1.0

data_NaTaSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   102.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaSn2
_chemical_formula_sum   'Na1 Ta1 Sn2'
_cell_volume   87.25
_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
  Ta  Ta1  1  0.0  0.38  0.0  1.0
  Sn  Sn2  1  0.54  0.69  0.1  1.0
  Sn  Sn3  1  0.54  0.69  0.9  1.0

Na Ta Sn Sn
Na Ta Sn Sn 0 2 - - - 0 2 - - o 0 3 - o - 0 3 - o o 0 1 o o o 1 2 o - - 1 2 o - o 1 3 o o - 1 3 o o o 2 3 o + o 