data_NaZnTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   2.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnTc2
_chemical_formula_sum   'Na1 Zn1 Tc2'
_cell_volume   62.49
_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
  Zn  Zn3  1  0.64  0.0  0.0  1.0
  Tc  Tc1  1  0.32  0.35  0.26  1.0
  Tc  Tc2  1  0.32  0.65  0.26  1.0

data_NaZnTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   5.28
_cell_length_c   5.39
_cell_angle_alpha   119.3
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnTc2
_chemical_formula_sum   'Na1 Zn1 Tc2'
_cell_volume   62.49
_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
  Zn  Zn1  1  0.0  0.0  0.64  1.0
  Tc  Tc2  1  0.26  0.35  0.67  1.0
  Tc  Tc3  1  0.26  0.65  0.97  1.0

Na Zn Tc Tc
Na Zn Tc Tc 0 1 - o o 0 2 o o o 1 3 o - o 2 3 o o o 