data_CoTc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   3.09
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTc2Cl
_chemical_formula_sum   'Co1 Tc2 Cl1'
_cell_volume   56.5
_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
  Co  Co1  1  0.0  0.0  0.19  1.0
  Tc  Tc2  1  0.43  0.54  0.54  1.0
  Tc  Tc3  1  0.43  0.54  0.85  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CoTc2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   3.09
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTc2Cl
_chemical_formula_sum   'Co1 Tc2 Cl1'
_cell_volume   56.5
_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
  Co  Co0  1  0.0  0.0  0.19  1.0
  Tc  Tc1  1  0.43  0.54  0.54  1.0
  Tc  Tc2  1  0.43  0.54  0.85  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Co Tc Tc Cl
Co Tc Tc Cl 0 3 o o o 1 2 o o o 2 3 o o + 2 3 o + + 2 3 + + + 