data_KTcSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   136.16
_cell_angle_beta   136.16
_cell_angle_gamma   63.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTcSb2
_chemical_formula_sum   'K1 Tc1 Sb2'
_cell_volume   100.21
_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  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.22  0.53  1.0
  Sb  Sb1  1  0.22  0.0  0.53  1.0
  Sb  Sb2  1  0.0  0.0  0.06  1.0

data_KTcSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   5.96
_cell_angle_alpha   111.92
_cell_angle_beta   111.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTcSb2
_chemical_formula_sum   'K1 Tc1 Sb2'
_cell_volume   100.21
_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  0.0  0.0  1.0
  Tc  Tc1  1  0.69  0.22  0.69  1.0
  Sb  Sb2  1  0.47  0.0  0.69  1.0
  Sb  Sb3  1  0.94  0.0  0.94  1.0

K Tc Sb Sb
K Tc Sb Sb 0 3 o o o 1 2 o o o 