data_KTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   9.76
_cell_angle_alpha   104.72
_cell_angle_beta   104.72
_cell_angle_gamma   33.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTc2
_chemical_formula_sum   'K2 Tc4'
_cell_volume   138.78
_cell_formula_units_Z   2
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  0.18  0.0  0.19  1.0
  K  K1  1  0.07  0.0  0.21  1.0
  Tc  Tc2  1  0.15  0.0  0.85  1.0
  Tc  Tc3  1  1.0  0.0  0.05  1.0
  Tc  Tc4  1  0.11  0.0  0.56  1.0
  Tc  Tc5  1  0.26  0.0  0.36  1.0

data_KTc2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.0
_cell_length_b   5.15
_cell_length_c   9.76
_cell_angle_alpha   104.72
_cell_angle_beta   90.0
_cell_angle_gamma   106.91
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KTc2
_chemical_formula_sum   'K2 Tc4'
_cell_volume   138.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.44  0.51  1.0
  Tc  Tc1  2  0.0  0.37  0.35  1.0
  Tc  Tc2  2  0.0  0.48  0.85  1.0

K K Tc Tc Tc Tc