data_KInTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   10.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KInTc2
_chemical_formula_sum   'K1 In1 Tc2'
_cell_volume   81.64
_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  K1  1  0.0  0.0  0.5  1.0
  In  In0  1  0.61  0.0  0.65  1.0
  Tc  Tc2  1  0.61  0.0  0.06  1.0
  Tc  Tc3  1  0.0  0.0  0.11  1.0

data_KInTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   10.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KInTc2
_chemical_formula_sum   'K1 In1 Tc2'
_cell_volume   81.64
_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  0.0  0.0  0.5  1.0
  In  In1  1  0.61  0.0  0.65  1.0
  Tc  Tc2  1  0.0  0.0  0.11  1.0
  Tc  Tc3  1  0.61  0.0  0.06  1.0

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