data_KTcSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   8.29
_cell_angle_alpha   111.98
_cell_angle_beta   111.98
_cell_angle_gamma   38.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTcSn2
_chemical_formula_sum   'K1 Tc1 Sn2'
_cell_volume   117.72
_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  0.8  0.0  0.01  1.0
  Tc  Tc3  1  0.54  0.0  0.26  1.0
  Sn  Sn1  1  0.13  0.0  0.07  1.0
  Sn  Sn2  1  0.89  0.0  0.69  1.0

data_KTcSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.99
_cell_length_c   7.92
_cell_angle_alpha   76.19
_cell_angle_beta   78.04
_cell_angle_gamma   70.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTcSn2
_chemical_formula_sum   'K1 Tc1 Sn2'
_cell_volume   117.72
_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  0.79  0.01  1.0
  Tc  Tc1  1  0.0  0.28  0.26  1.0
  Sn  Sn2  1  0.0  0.05  0.07  1.0
  Sn  Sn3  1  0.0  0.2  0.69  1.0

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