# generated using pymatgen
data_Te3WICl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.00615500
_cell_length_b   11.85258700
_cell_length_c   12.04067111
_cell_angle_alpha   68.32236933
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te3WICl6
_chemical_formula_sum   'Te12 W4 I4 Cl24'
_cell_volume   1459.63608565
_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
  Te  Te0  1  0.18843200  0.11190900  0.04375600  1.0
  Te  Te1  1  0.20971600  0.93974000  0.95193100  1.0
  Te  Te2  1  0.70971600  0.06026000  0.54806900  1.0
  Te  Te3  1  0.81156800  0.88809100  0.95624400  1.0
  Te  Te4  1  0.50992200  0.01121900  0.71809400  1.0
  Te  Te5  1  0.99007800  0.01121900  0.21809400  1.0
  Te  Te6  1  0.79028400  0.06026000  0.04806900  1.0
  Te  Te7  1  0.29028400  0.93974000  0.45193100  1.0
  Te  Te8  1  0.00992200  0.98878100  0.78190600  1.0
  Te  Te9  1  0.31156800  0.11190900  0.54375600  1.0
  Te  Te10  1  0.68843200  0.88809100  0.45624400  1.0
  Te  Te11  1  0.49007800  0.98878100  0.28190600  1.0
  W  W12  1  0.00533900  0.63900200  0.71439900  1.0
  W  W13  1  0.49466100  0.63900200  0.21439900  1.0
  W  W14  1  0.99466100  0.36099800  0.28560100  1.0
  W  W15  1  0.50533900  0.36099800  0.78560100  1.0
  I  I16  1  0.97048400  0.22679800  0.74023600  1.0
  I  I17  1  0.52951600  0.22679800  0.24023600  1.0
  I  I18  1  0.02951600  0.77320200  0.25976400  1.0
  I  I19  1  0.47048400  0.77320200  0.75976400  1.0
  Cl  Cl20  1  0.61443200  0.55833900  0.10360600  1.0
  Cl  Cl21  1  0.66991100  0.69079100  0.29640000  1.0
  Cl  Cl22  1  0.48201300  0.45392300  0.36852400  1.0
  Cl  Cl23  1  0.00543300  0.16284100  0.43724500  1.0
  Cl  Cl24  1  0.50543300  0.83715900  0.06275500  1.0
  Cl  Cl25  1  0.01798700  0.45392300  0.86852400  1.0
  Cl  Cl26  1  0.33008900  0.30920900  0.70360000  1.0
  Cl  Cl27  1  0.38556800  0.44166100  0.89639400  1.0
  Cl  Cl28  1  0.67957700  0.39067400  0.87625400  1.0
  Cl  Cl29  1  0.83008900  0.69079100  0.79640000  1.0
  Cl  Cl30  1  0.32042300  0.60932600  0.12374600  1.0
  Cl  Cl31  1  0.11443200  0.44166100  0.39639400  1.0
  Cl  Cl32  1  0.17957700  0.60932600  0.62374600  1.0
  Cl  Cl33  1  0.87850000  0.27427600  0.16788800  1.0
  Cl  Cl34  1  0.49456700  0.16284100  0.93724500  1.0
  Cl  Cl35  1  0.88556800  0.55833900  0.60360600  1.0
  Cl  Cl36  1  0.82042300  0.39067400  0.37625400  1.0
  Cl  Cl37  1  0.12150000  0.72572400  0.83211200  1.0
  Cl  Cl38  1  0.51798700  0.54607700  0.63147600  1.0
  Cl  Cl39  1  0.99456700  0.83715900  0.56275500  1.0
  Cl  Cl40  1  0.37850000  0.72572400  0.33211200  1.0
  Cl  Cl41  1  0.62150000  0.27427600  0.66788800  1.0
  Cl  Cl42  1  0.16991100  0.30920900  0.20360000  1.0
  Cl  Cl43  1  0.98201300  0.54607700  0.13147600  1.0