data_NaTaZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.18
_cell_angle_alpha   105.12
_cell_angle_beta   105.12
_cell_angle_gamma   27.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaZn2
_chemical_formula_sum   'Na1 Ta1 Zn2'
_cell_volume   69.97
_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  0.75  0.0  0.83  1.0
  Ta  Ta1  1  0.52  0.0  0.87  1.0
  Zn  Zn2  1  0.42  0.0  0.3  1.0
  Zn  Zn3  1  0.95  0.0  0.49  1.0

data_NaTaZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.18
_cell_length_c   5.5
_cell_angle_alpha   105.12
_cell_angle_beta   103.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTaZn2
_chemical_formula_sum   'Na1 Ta1 Zn2'
_cell_volume   69.97
_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  0.83  0.75  1.0
  Ta  Ta1  1  0.0  0.87  0.52  1.0
  Zn  Zn2  1  0.0  0.3  0.42  1.0
  Zn  Zn3  1  0.0  0.49  0.95  1.0

Na Ta Zn Zn