# generated using pymatgen
data_Ta6PbS12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80624225
_cell_length_b   5.80624213
_cell_length_c   14.40129502
_cell_angle_alpha   86.16323728
_cell_angle_beta   86.16323883
_cell_angle_gamma   119.99930536
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6PbS12
_chemical_formula_sum   'Ta6 Pb1 S12'
_cell_volume   416.67864579
_cell_formula_units_Z   1
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
  Ta  Ta0  1  0.08797282  0.08797282  0.73725326  1.0
  Ta  Ta1  1  0.42073765  0.75377802  0.73722691  1.0
  Ta  Ta2  1  0.75377802  0.42073765  0.73722691  1.0
  Ta  Ta3  1  0.24622198  0.57926235  0.26277309  1.0
  Ta  Ta4  1  0.57926235  0.24622198  0.26277309  1.0
  Ta  Ta5  1  0.91202718  0.91202718  0.26274674  1.0
  Pb  Pb6  1  0.00000000  0.00000000  0.00000000  1.0
  S  S7  1  0.28454680  0.28454680  0.15320426  1.0
  S  S8  1  0.61308034  0.94907044  0.15313577  1.0
  S  S9  1  0.94907044  0.61308034  0.15313577  1.0
  S  S10  1  0.05092956  0.38691966  0.84686423  1.0
  S  S11  1  0.38691966  0.05092956  0.84686423  1.0
  S  S12  1  0.71545320  0.71545320  0.84679574  1.0
  S  S13  1  0.20995875  0.20995875  0.36930232  1.0
  S  S14  1  0.54399787  0.87735094  0.36933079  1.0
  S  S15  1  0.87735094  0.54399787  0.36933079  1.0
  S  S16  1  0.12264906  0.45600213  0.63066921  1.0
  S  S17  1  0.45600213  0.12264906  0.63066921  1.0
  S  S18  1  0.79004125  0.79004125  0.63069768  1.0