# generated using pymatgen
data_TlC4S4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42403869
_cell_length_b   10.09497472
_cell_length_c   10.14149362
_cell_angle_alpha   54.17772082
_cell_angle_beta   100.25230760
_cell_angle_gamma   91.98131701
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlC4S4N
_chemical_formula_sum   'Tl2 C8 S8 N2'
_cell_volume   604.13234312
_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  0.76494500  0.83283100  0.60492600  1.0
  Tl  Tl1  1  0.23505500  0.16716900  0.39507400  1.0
  C  C2  1  0.88900500  0.79242500  0.22773800  1.0
  C  C3  1  0.11099500  0.20757500  0.77226200  1.0
  C  C4  1  0.01338700  0.73093100  0.20083600  1.0
  C  C5  1  0.98661300  0.26906900  0.79916400  1.0
  C  C6  1  0.75475200  0.86073600  0.23713800  1.0
  C  C7  1  0.24524800  0.13926400  0.76286200  1.0
  C  C8  1  0.24820800  0.64359800  0.11599800  1.0
  C  C9  1  0.75179200  0.35640200  0.88400200  1.0
  S  S10  1  0.41156000  0.05571800  0.75209300  1.0
  S  S11  1  0.58844000  0.94428200  0.24790700  1.0
  S  S12  1  0.35224600  0.82051100  0.55090700  1.0
  S  S13  1  0.64775400  0.17948900  0.44909300  1.0
  S  S14  1  0.35128500  0.62265900  0.00621800  1.0
  S  S15  1  0.64871500  0.37734100  0.99378200  1.0
  S  S16  1  0.20337900  0.66996900  0.72109500  1.0
  S  S17  1  0.79662100  0.33003100  0.27890500  1.0
  N  N18  1  0.12639100  0.67994100  0.16195900  1.0
  N  N19  1  0.87360900  0.32005900  0.83804100  1.0