data_K2TcB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.55
_cell_angle_alpha   98.55
_cell_angle_beta   98.55
_cell_angle_gamma   34.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TcB
_chemical_formula_sum   'K2 Tc1 B1'
_cell_volume   103.62
_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  0.14  0.0  0.47  1.0
  K  K2  1  0.07  0.0  0.39  1.0
  Tc  Tc3  1  0.1  0.0  0.76  1.0
  B  B0  1  0.1  0.0  0.1  1.0

data_K2TcB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.55
_cell_length_c   5.77
_cell_angle_alpha   98.55
_cell_angle_beta   107.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TcB
_chemical_formula_sum   'K2 Tc1 B1'
_cell_volume   103.62
_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  0.39  0.07  1.0
  K  K1  1  0.0  0.47  0.14  1.0
  Tc  Tc2  1  0.0  0.76  0.1  1.0
  B  B3  1  0.0  0.1  0.1  1.0

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