data_TeC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   7.09
_cell_angle_alpha   106.34
_cell_angle_beta   106.34
_cell_angle_gamma   50.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeC2
_chemical_formula_sum   'Te2 C4'
_cell_volume   90.95
_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  Te4  1  0.36  0.0  0.9  1.0
  Te  Te5  1  0.03  0.0  0.83  1.0
  C  C0  1  0.58  0.0  0.49  1.0
  C  C1  1  0.92  0.0  0.65  1.0
  C  C2  1  0.47  0.0  0.08  1.0
  C  C3  1  0.82  0.0  0.25  1.0

data_TeC2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.55
_cell_length_b   4.19
_cell_length_c   7.09
_cell_angle_alpha   106.34
_cell_angle_beta   90.0
_cell_angle_gamma   115.07
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TeC2
_chemical_formula_sum   'Te2 C4'
_cell_volume   90.95
_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  0.0  0.33  0.97  1.0
  C  C1  2  0.0  0.12  0.38  1.0
  C  C2  2  0.0  0.22  0.78  1.0

Te Te C C C C
Te Te C C C C 0 1 o o o 0 4 o o + 1 3 - o o 2 3 o o o 4 5 o o o 