# generated using pymatgen
data_TlC4S4N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00117700
_cell_length_b   9.62333337
_cell_length_c   9.95085070
_cell_angle_alpha   113.13912993
_cell_angle_beta   93.86622158
_cell_angle_gamma   96.57837861
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlC4S4N
_chemical_formula_sum   'Tl2 C8 S8 N2'
_cell_volume   607.78431471
_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  0.25027900  0.36614000  0.54606300  1.0
  Tl  Tl1  1  0.74972100  0.63386000  0.45393700  1.0
  C  C2  1  0.11922400  0.79148800  0.98548200  1.0
  C  C3  1  0.88077600  0.20851200  0.01451800  1.0
  C  C4  1  0.99351100  0.79106500  0.06997500  1.0
  C  C5  1  0.00648900  0.20893500  0.93002500  1.0
  C  C6  1  0.26045300  0.78488000  0.90558300  1.0
  C  C7  1  0.73954700  0.21512000  0.09441700  1.0
  C  C8  1  0.77689700  0.78093400  0.25444900  1.0
  C  C9  1  0.22310300  0.21906600  0.74555100  1.0
  S  S10  1  0.56731500  0.22967200  0.18792500  1.0
  S  S11  1  0.43268500  0.77032800  0.81207500  1.0
  S  S12  1  0.66895700  0.46936200  0.67116000  1.0
  S  S13  1  0.33104300  0.53063800  0.32884000  1.0
  S  S14  1  0.53584100  0.12574900  0.40240300  1.0
  S  S15  1  0.46415900  0.87425100  0.59759700  1.0
  S  S16  1  0.73097800  0.25497500  0.57445600  1.0
  S  S17  1  0.26902200  0.74502500  0.42554400  1.0
  N  N18  1  0.88082700  0.78611300  0.16382400  1.0
  N  N19  1  0.11917300  0.21388700  0.83617600  1.0