data_Na2TcSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   5.32
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   104.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcSb
_chemical_formula_sum   'Na2 Tc1 Sb1'
_cell_volume   82.98
_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  0.8  0.66  0.8  1.0
  Na  Na1  1  0.07  0.66  0.19  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.94  0.0  0.49  1.0

data_Na2TcSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.14
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   104.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TcSb
_chemical_formula_sum   'Na2 Tc1 Sb1'
_cell_volume   82.98
_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  0.2  0.2  0.34  1.0
  Na  Na1  1  0.93  0.81  0.34  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.06  0.51  0.0  1.0

Na Na Tc Sb
Na Na Tc Sb 0 2 + + + 0 1 + o + 0 3 o + o 1 2 o + o 1 3 - + o 2 3 - o o 2 3 - o - 