data_KNaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   11.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaTc2
_chemical_formula_sum   'K1 Na1 Tc2'
_cell_volume   83.72
_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
  K  K0  1  0.53  0.0  0.06  1.0
  Na  Na1  1  0.0  0.0  0.36  1.0
  Tc  Tc2  1  0.53  0.0  0.97  1.0
  Tc  Tc3  1  0.0  0.0  0.97  1.0

data_KNaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   11.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaTc2
_chemical_formula_sum   'K1 Na1 Tc2'
_cell_volume   83.72
_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
  K  K0  1  0.53  0.0  0.06  1.0
  Na  Na1  1  0.0  0.0  0.36  1.0
  Tc  Tc2  1  0.0  0.0  0.97  1.0
  Tc  Tc3  1  0.53  0.0  0.97  1.0

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