data_TeC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeC
_chemical_formula_sum   'Te3 C3'
_cell_volume   112.75
_cell_formula_units_Z   3
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  Te3  1  0.0  0.0  0.29  1.0
  Te  Te4  1  0.48  0.0  0.0  1.0
  Te  Te5  1  0.0  0.48  0.0  1.0
  C  C0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.0  0.48  0.29  1.0
  C  C2  1  0.48  0.0  0.29  1.0

data_TeC
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TeC
_chemical_formula_sum   'Te6 C6'
_cell_volume   225.5
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.24  0.24  0.0  1.0
  Te  Te1  2  0.0  0.0  0.29  1.0
  C  C2  4  0.24  0.24  0.29  1.0
  C  C3  2  0.0  0.0  0.0  1.0

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