data_KCoTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09
_cell_length_b   10.09
_cell_length_c   10.09
_cell_angle_alpha   15.9
_cell_angle_beta   15.9
_cell_angle_gamma   15.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCoTc2
_chemical_formula_sum   'K1 Co1 Tc2'
_cell_volume   67.21
_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  K1  1  0.0  0.0  0.55  1.0
  Co  Co0  1  0.0  0.0  0.35  1.0
  Tc  Tc2  1  0.0  0.0  0.42  1.0
  Tc  Tc3  1  0.0  0.0  0.39  1.0

data_KCoTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   2.79
_cell_length_c   10.09
_cell_angle_alpha   90.0
_cell_angle_beta   99.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KCoTc2
_chemical_formula_sum   'K2 Co2 Tc4'
_cell_volume   134.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.45  1.0
  Co  Co1  2  -0.0  0.0  0.65  1.0
  Tc  Tc2  2  -0.0  0.0  0.58  1.0
  Tc  Tc3  2  -0.0  0.0  0.61  1.0

K Co Tc Tc
K Co Tc Tc 0 3 o o o 0 2 o o o 1 3 o o o 2 3 o o o 