data_KTcB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78
_cell_length_b   3.05
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   91.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTcB2
_chemical_formula_sum   'K1 Tc1 B2'
_cell_volume   72.09
_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  K2  1  0.36  0.0  0.21  1.0
  Tc  Tc3  1  0.33  0.53  0.2  1.0
  B  B0  1  0.37  0.0  0.18  1.0
  B  B1  1  0.03  0.53  0.78  1.0

data_KTcB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.78
_cell_length_c   6.25
_cell_angle_alpha   91.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTcB2
_chemical_formula_sum   'K1 Tc1 B2'
_cell_volume   72.09
_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  0.64  0.79  1.0
  Tc  Tc1  1  0.47  0.67  0.8  1.0
  B  B2  1  0.0  0.63  0.82  1.0
  B  B3  1  0.47  0.97  0.22  1.0

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