data_Na2TaZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   2.64
_cell_angle_alpha   100.95
_cell_angle_beta   100.95
_cell_angle_gamma   125.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaZn
_chemical_formula_sum   'Na2 Ta1 Zn1'
_cell_volume   81.22
_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  0.93  0.86  0.2  1.0
  Na  Na1  1  0.93  0.14  0.2  1.0
  Ta  Ta2  1  0.95  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_Na2TaZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   5.37
_cell_length_c   6.44
_cell_angle_alpha   114.15
_cell_angle_beta   100.95
_cell_angle_gamma   92.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaZn
_chemical_formula_sum   'Na2 Ta1 Zn1'
_cell_volume   81.22
_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  0.07  0.86  0.79  1.0
  Na  Na1  1  0.34  0.14  0.06  1.0
  Ta  Ta2  1  -0.0  0.0  0.95  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

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