data_image0
_chemical_formula_structural       Ta4S12
_chemical_formula_sum              "Ta4 S12"
_cell_length_a       4.9977485230660665
_cell_length_b       6.768849612201718
_cell_length_c       36.245036402360235
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    89.99685125332586

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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  Ta1       1.0  0.9985797093640131  0.9978284455810197  0.5370888000744937  1.0000
  Ta  Ta2       1.0  0.4986995825991614  0.2961710859272379  0.46291119489419025  1.0000
  Ta  Ta3       1.0  0.9985053285014037  0.5486247825079046  0.5392664400449383  1.0000
  Ta  Ta4       1.0  0.4987739501904977  0.7453747106428831  0.4607335620971417  1.0000
  S   S1        1.0  0.9987063893448662  0.7616464254385233  0.48431299627159174  1.0000
  S   S2        1.0  0.49857288710932846  0.5323530562126187  0.5156870064222879  1.0000
  S   S3        1.0  0.99859516593302  0.2808137530332036  0.48930769921492256  1.0000
  S   S4        1.0  0.4986841200229354  0.0131858996183606  0.5106922954778615  1.0000
  S   S5        1.0  0.20256672852138302  0.7779772593914877  0.5860460669482676  1.0000
  S   S6        1.0  0.2947127542643478  0.5160221820477093  0.4139539059484286  1.0000
  S   S7        1.0  0.20355205281211017  0.26981945807347246  0.5787109141552443  1.0000
  S   S8        1.0  0.29372711510076477  0.024179924224350367  0.42128910178182793  1.0000
  S   S9        1.0  0.7920259841046842  0.778015418964292  0.5857403721249268  1.0000
  S   S10       1.0  0.7052535464649838  0.5159840346119408  0.4142596507096417  1.0000
  S   S11       1.0  0.7941777699954807  0.26984829554237383  0.5788257836770675  1.0000
  S   S12       1.0  0.7031014457017167  0.02415108855099351  0.42117420660131905  1.0000