data_NaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.0
_cell_length_b   10.0
_cell_length_c   4.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   164.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTc2
_chemical_formula_sum   'Na2 Tc4'
_cell_volume   118.07
_cell_formula_units_Z   2
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  0.39  0.85  0.23  1.0
  Na  Na1  1  0.39  0.15  0.08  1.0
  Tc  Tc2  1  0.39  0.37  0.23  1.0
  Tc  Tc3  1  0.39  0.75  0.23  1.0
  Tc  Tc4  1  0.39  0.25  0.08  1.0
  Tc  Tc5  1  0.39  0.63  0.08  1.0

data_NaTc2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.77
_cell_length_b   4.3
_cell_length_c   10.0
_cell_angle_alpha   90.0
_cell_angle_beta   97.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaTc2
_chemical_formula_sum   'Na2 Tc4'
_cell_volume   118.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.15  0.58  0.65  1.0
  Tc  Tc1  2  0.25  0.58  0.75  1.0
  Tc  Tc2  2  0.37  0.42  0.87  1.0

Na Na Tc Tc Tc Tc
Na Na Tc Tc Tc Tc 0 3 o o o 1 4 o o o 2 4 o o o 3 5 o o o 