data_CoTc4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   99.7
_cell_angle_beta   99.7
_cell_angle_gamma   131.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTc4
_chemical_formula_sum   'Co1 Tc4'
_cell_volume   68.87
_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  0.24  0.62  0.0  1.0
  Tc  Tc2  1  0.76  0.38  0.91  1.0
  Tc  Tc3  1  0.38  0.24  0.0  1.0
  Tc  Tc4  1  0.62  0.76  0.91  1.0

data_CoTc4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   80.3
_cell_angle_beta   65.77
_cell_angle_gamma   65.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTc4
_chemical_formula_sum   'Co1 Tc4'
_cell_volume   68.87
_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  0.24  0.14  0.0  1.0
  Tc  Tc2  1  0.38  0.38  0.09  1.0
  Tc  Tc3  1  0.62  0.62  0.0  1.0
  Tc  Tc4  1  0.76  0.86  0.09  1.0

Co Tc Tc Tc Tc
Co Tc Tc Tc Tc 0 4 - - - 0 3 o o o 1 2 - o - 1 4 o o - 2 3 o o + 