# generated using pymatgen
data_CeTl2P2S7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78721845
_cell_length_b   9.39871351
_cell_length_c   19.94837811
_cell_angle_alpha   97.56144034
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeTl2P2S7
_chemical_formula_sum   'Ce4 Tl8 P8 S28'
_cell_volume   1261.46391186
_cell_formula_units_Z   4
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
  Ce  Ce0  1  0.52420684  0.68618897  0.34780083  1.0
  Ce  Ce1  1  0.02420684  0.81381103  0.15219917  1.0
  Ce  Ce2  1  0.47579316  0.31381103  0.65219917  1.0
  Ce  Ce3  1  0.97579316  0.18618897  0.84780083  1.0
  Tl  Tl4  1  0.00858413  0.63649231  0.81408732  1.0
  Tl  Tl5  1  0.51366529  0.74446768  0.99021824  1.0
  Tl  Tl6  1  0.98633471  0.24446768  0.49021824  1.0
  Tl  Tl7  1  0.49141587  0.13649231  0.31408732  1.0
  Tl  Tl8  1  0.48633471  0.25553232  0.00978176  1.0
  Tl  Tl9  1  0.99141587  0.36350769  0.18591268  1.0
  Tl  Tl10  1  0.50858413  0.86350769  0.68591268  1.0
  Tl  Tl11  1  0.01366529  0.75553232  0.50978176  1.0
  P  P12  1  0.48904492  0.59775758  0.16606835  1.0
  P  P13  1  0.99310513  0.07991458  0.04693920  1.0
  P  P14  1  0.98904492  0.90224242  0.33393165  1.0
  P  P15  1  0.01095508  0.09775758  0.66606835  1.0
  P  P16  1  0.50689487  0.57991458  0.54693920  1.0
  P  P17  1  0.49310513  0.42008542  0.45306080  1.0
  P  P18  1  0.51095508  0.40224242  0.83393165  1.0
  P  P19  1  0.00689487  0.92008542  0.95306080  1.0
  S  S20  1  0.75639838  0.02498392  0.09942669  1.0
  S  S21  1  0.74360162  0.52498392  0.59942669  1.0
  S  S22  1  0.25639838  0.47501608  0.40057331  1.0
  S  S23  1  0.49868575  0.54221977  0.76516765  1.0
  S  S24  1  0.44233538  0.80379026  0.21672962  1.0
  S  S25  1  0.73808139  0.58257752  0.10719930  1.0
  S  S26  1  0.74047179  0.45323567  0.39968367  1.0
  S  S27  1  0.23808139  0.91742248  0.39280070  1.0
  S  S28  1  0.75952821  0.95323567  0.89968367  1.0
  S  S29  1  0.47931391  0.23099404  0.48852599  1.0
  S  S30  1  0.94233538  0.69620974  0.28327038  1.0
  S  S31  1  0.97931391  0.26900596  0.01147401  1.0
  S  S32  1  0.26191861  0.41742248  0.89280070  1.0
  S  S33  1  0.24047179  0.04676433  0.10031633  1.0
  S  S34  1  0.24689096  0.05347055  0.60209225  1.0
  S  S35  1  0.75310904  0.94652945  0.39790775  1.0
  S  S36  1  0.25310904  0.55347055  0.10209225  1.0
  S  S37  1  0.25952821  0.54676433  0.60031633  1.0
  S  S38  1  0.99868575  0.95778023  0.73483235  1.0
  S  S39  1  0.76191861  0.08257752  0.60719930  1.0
  S  S40  1  0.05766462  0.30379026  0.71672962  1.0
  S  S41  1  0.52068609  0.76900596  0.51147401  1.0
  S  S42  1  0.00131425  0.04221977  0.26516765  1.0
  S  S43  1  0.02068609  0.73099404  0.98852599  1.0
  S  S44  1  0.55766462  0.19620974  0.78327038  1.0
  S  S45  1  0.50131425  0.45778023  0.23483235  1.0
  S  S46  1  0.74689096  0.44652945  0.89790775  1.0
  S  S47  1  0.24360162  0.97501608  0.90057331  1.0