# generated using pymatgen
data_TlCr3S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.91447060
_cell_length_b   9.91447060
_cell_length_c   12.09326674
_cell_angle_alpha   58.17423795
_cell_angle_beta   58.17423795
_cell_angle_gamma   20.35311075
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr3S5
_chemical_formula_sum   'Tl2 Cr6 S10'
_cell_volume   349.09946235
_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  0.26244146  0.26244146  0.82183328  1.0
  Tl  Tl1  1  0.73755854  0.73755854  0.17816672  1.0
  Cr  Cr2  1  0.50000000  0.50000000  -0.00000000  1.0
  Cr  Cr3  1  0.50000000  0.50000000  0.50000000  1.0
  Cr  Cr4  1  0.16439603  0.16439603  0.61118987  1.0
  Cr  Cr5  1  0.83560397  0.83560397  0.38881013  1.0
  Cr  Cr6  1  0.98214244  0.98214244  0.77320410  1.0
  Cr  Cr7  1  0.01785756  0.01785756  0.22679590  1.0
  S  S8  1  0.07454416  0.07454416  0.84805217  1.0
  S  S9  1  0.92545584  0.92545584  0.15194783  1.0
  S  S10  1  0.40844807  0.40844807  0.91990369  1.0
  S  S11  1  0.59155193  0.59155193  0.08009631  1.0
  S  S12  1  0.57553001  0.57553001  0.60760026  1.0
  S  S13  1  0.42446999  0.42446999  0.39239974  1.0
  S  S14  1  0.74404575  0.74404575  0.61847968  1.0
  S  S15  1  0.25595425  0.25595425  0.38152032  1.0
  S  S16  1  0.91870028  0.91870028  0.65210403  1.0
  S  S17  1  0.08129972  0.08129972  0.34789597  1.0