data_TcC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   3.87
_cell_angle_alpha   141.77
_cell_angle_beta   116.62
_cell_angle_gamma   76.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcC3
_chemical_formula_sum   'Tc1 C3'
_cell_volume   31.39
_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
  Tc  Tc3  1  0.0  0.0  0.04  1.0
  C  C0  1  0.27  0.0  0.09  1.0
  C  C1  1  0.0  0.03  0.95  1.0
  C  C2  1  0.0  0.0  0.0  1.0

data_TcC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.54
_cell_length_b   3.87
_cell_length_c   3.87
_cell_angle_alpha   63.38
_cell_angle_beta   70.89
_cell_angle_gamma   70.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcC3
_chemical_formula_sum   'Tc1 C3'
_cell_volume   31.39
_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
  Tc  Tc0  1  0.04  0.0  0.96  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.83  0.27  0.91  1.0
  C  C3  1  0.95  -0.0  0.09  1.0

Tc C C C
Tc C C C 0 3 o o o 0 1 o o o 1 2 o o - 1 3 o o o 2 3 o o + 