data_K2TcAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   142.15
_cell_angle_beta   135.85
_cell_angle_gamma   59.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TcAg
_chemical_formula_sum   'K2 Tc1 Ag1'
_cell_volume   110.28
_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  0.07  0.0  0.84  1.0
  K  K2  1  0.0  0.4  0.71  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.54  1.0

data_K2TcAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.8
_cell_length_c   6.39
_cell_angle_alpha   112.07
_cell_angle_beta   108.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TcAg
_chemical_formula_sum   'K2 Tc1 Ag1'
_cell_volume   110.28
_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  0.84  0.76  1.0
  K  K1  1  0.6  0.31  0.31  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.54  0.54  1.0

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