# generated using pymatgen
data_TlC4S4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78425700
_cell_length_b   9.01674608
_cell_length_c   9.96828730
_cell_angle_alpha   111.25504367
_cell_angle_beta   93.90500669
_cell_angle_gamma   107.23214855
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlC4S4N
_chemical_formula_sum   'Tl2 C8 S8 N2'
_cell_volume   532.13615588
_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
  Tl  Tl0  1  0.16240400  0.85707700  0.41946100  1.0
  Tl  Tl1  1  0.83759600  0.14292300  0.58053900  1.0
  C  C2  1  0.03785000  0.77643000  0.74553900  1.0
  C  C3  1  0.96215000  0.22357000  0.25446100  1.0
  C  C4  1  0.06733500  0.72907400  0.89358500  1.0
  C  C5  1  0.93266500  0.27092600  0.10641500  1.0
  C  C6  1  0.15337200  0.87485500  0.68777700  1.0
  C  C7  1  0.84662800  0.12514500  0.31222300  1.0
  C  C8  1  0.86453900  0.65198800  0.74705300  1.0
  C  C9  1  0.13546100  0.34801200  0.25294700  1.0
  S  S10  1  0.59071900  0.98286000  0.22526700  1.0
  S  S11  1  0.40928100  0.01714000  0.77473300  1.0
  S  S12  1  0.57508100  0.76602100  0.44388300  1.0
  S  S13  1  0.42491900  0.23397900  0.55611700  1.0
  S  S14  1  0.62681000  0.76352000  0.10747900  1.0
  S  S15  1  0.37319000  0.23648000  0.89252100  1.0
  S  S16  1  0.67720300  0.65261400  0.26873800  1.0
  S  S17  1  0.32279700  0.34738600  0.73126200  1.0
  N  N18  1  0.90373700  0.59969200  0.86712800  1.0
  N  N19  1  0.09626300  0.40030800  0.13287200  1.0