data_Tl4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14
_cell_length_b   9.14
_cell_length_c   9.14
_cell_angle_alpha   153.27
_cell_angle_beta   153.27
_cell_angle_gamma   38.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4C
_chemical_formula_sum   'Tl4 C1'
_cell_volume   154.18
_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  Tl1  1  0.11  0.0  0.32  1.0
  Tl  Tl2  1  0.0  0.11  0.32  1.0
  Tl  Tl3  1  0.0  0.0  0.12  1.0
  Tl  Tl4  1  0.0  0.0  0.16  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_Tl4C
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   109.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl4C
_chemical_formula_sum   'Tl8 C2'
_cell_volume   308.35
_cell_formula_units_Z   2
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
  Tl  Tl0  4  0.26  0.06  0.21  1.0
  Tl  Tl1  2  0.12  0.0  0.12  1.0
  Tl  Tl2  2  0.16  0.0  0.16  1.0
  C  C3  2  0.0  0.0  0.0  1.0

Tl Tl Tl Tl C