data_KMnTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.8
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   101.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnTc2
_chemical_formula_sum   'K1 Mn1 Tc2'
_cell_volume   73.89
_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  0.0  1.0
  Mn  Mn1  1  0.76  0.0  0.84  1.0
  Tc  Tc2  1  0.78  0.4  0.24  1.0
  Tc  Tc3  1  0.73  0.4  0.44  1.0

data_KMnTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.8
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   101.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnTc2
_chemical_formula_sum   'K1 Mn1 Tc2'
_cell_volume   73.89
_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  0.0  1.0
  Mn  Mn1  1  0.76  0.0  0.84  1.0
  Tc  Tc2  1  0.73  0.4  0.44  1.0
  Tc  Tc3  1  0.78  0.4  0.24  1.0

K Mn Tc Tc
K Mn Tc Tc 0 1 - o - 2 3 o o o 