data_TeC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeC3
_chemical_formula_sum   'Te2 C6'
_cell_volume   157.08
_cell_formula_units_Z   2
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
  Te  Te6  1  0.82  0.51  0.65  1.0
  Te  Te7  1  0.82  0.49  0.94  1.0
  C  C0  1  0.82  0.61  0.94  1.0
  C  C1  1  0.82  0.39  0.65  1.0
  C  C2  1  0.28  0.15  0.94  1.0
  C  C3  1  0.35  0.85  0.65  1.0
  C  C4  1  0.35  0.15  0.94  1.0
  C  C5  1  0.28  0.85  0.65  1.0

data_TeC3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.65
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TeC3
_chemical_formula_sum   'Te2 C6'
_cell_volume   157.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Te  Te0  2  0.5  0.49  0.65  1.0
  C  C1  2  0.03  0.15  0.65  1.0
  C  C2  2  0.03  0.85  0.35  1.0
  C  C3  2  0.5  0.39  0.35  1.0

Te Te C C C C C C