data_TlC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   6.01
_cell_angle_alpha   91.13
_cell_angle_beta   91.13
_cell_angle_gamma   40.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlC3
_chemical_formula_sum   'Tl1 C3'
_cell_volume   55.45
_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
  Tl  Tl3  1  0.45  0.0  0.01  1.0
  C  C0  1  0.0  0.0  0.0  1.0
  C  C1  1  0.65  0.0  0.0  1.0
  C  C2  1  0.25  0.0  0.01  1.0

data_TlC3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.62
_cell_length_b   6.01
_cell_length_c   3.75
_cell_angle_alpha   90.0
_cell_angle_beta   110.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TlC3
_chemical_formula_sum   'Tl1 C3'
_cell_volume   55.46
_cell_formula_units_Z   1
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
  Tl  Tl0  1  0.0  0.0  0.55  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.0  0.0  0.35  1.0
  C  C3  1  0.0  0.0  0.75  1.0

Tl C C C
Tl C C C 0 3 o o o 0 2 o o o 1 3 o o o 