data_Na2TaIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   11.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaIn
_chemical_formula_sum   'Na2 Ta1 In1'
_cell_volume   93.03
_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  Na1  1  0.67  0.0  0.92  1.0
  Na  Na2  1  0.67  0.0  0.6  1.0
  Ta  Ta3  1  0.0  0.0  0.76  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_Na2TaIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   11.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaIn
_chemical_formula_sum   'Na2 Ta1 In1'
_cell_volume   93.03
_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  0.67  0.0  0.6  1.0
  Na  Na1  1  0.67  0.0  0.92  1.0
  Ta  Ta2  1  0.0  0.0  0.76  1.0
  In  In3  1  0.0  0.0  0.0  1.0

Na Na Ta In
Na Na Ta In 0 3 + o + 0 2 + o o 1 2 + o o 