data_NaTa2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   10.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Zn
_chemical_formula_sum   'Na1 Ta2 Zn1'
_cell_volume   75.92
_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  0.57  0.0  0.96  1.0
  Ta  Ta2  1  0.57  0.0  0.66  1.0
  Zn  Zn3  1  0.0  0.0  0.31  1.0

data_NaTa2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   10.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Zn
_chemical_formula_sum   'Na1 Ta2 Zn1'
_cell_volume   75.92
_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  0.57  0.0  0.66  1.0
  Ta  Ta2  1  0.57  0.0  0.96  1.0
  Zn  Zn3  1  0.0  0.0  0.31  1.0

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