data_CoTc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   149.13
_cell_angle_beta   64.33
_cell_angle_gamma   125.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTc3
_chemical_formula_sum   'Co1 Tc3'
_cell_volume   54.07
_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  0.0  1.0
  Tc  Tc1  1  0.35  0.11  0.22  1.0
  Tc  Tc2  1  0.35  0.0  0.33  1.0
  Tc  Tc3  1  0.0  0.18  0.56  1.0

data_CoTc3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.67
_cell_length_c   5.07
_cell_angle_alpha   117.45
_cell_angle_beta   105.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTc3
_chemical_formula_sum   'Co1 Tc3'
_cell_volume   54.07
_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  0.0  1.0
  Tc  Tc1  1  0.22  0.12  0.47  1.0
  Tc  Tc2  1  0.33  0.33  0.68  1.0
  Tc  Tc3  1  0.56  0.37  0.37  1.0

Co Tc Tc Tc