data_Te3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te3C
_chemical_formula_sum   'Te3 C1'
_cell_volume   90.15
_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
  Te  Te1  1  0.0  0.0  0.52  1.0
  Te  Te2  1  0.7  0.98  0.61  1.0
  Te  Te3  1  0.7  0.98  0.43  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_Te3C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   9.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te3C
_chemical_formula_sum   'Te3 C1'
_cell_volume   90.15
_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
  Te  Te0  1  0.0  0.0  0.52  1.0
  Te  Te1  1  0.7  0.98  0.43  1.0
  Te  Te2  1  0.7  0.98  0.61  1.0
  C  C3  1  0.0  0.0  0.0  1.0

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