data_image0
_chemical_formula_structural       MoTaMoTaS8
_chemical_formula_sum              "Mo2 Ta2 S8"
_cell_length_a       6.561368468209669
_cell_length_b       6.556680215633865
_cell_length_c       33.19
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.96021969165344

_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
  Mo  Mo1       1.0  0.5012868499737431  0.0006447203096606735  0.5  1.0000
  Ta  Ta1       1.0  0.9973264382196234  0.9986648601562934  0.5  1.0000
  Mo  Mo2       1.0  0.5012868499383938  0.5006447203505652  0.5  1.0000
  Ta  Ta2       1.0  0.9973264387903891  0.4986648604714923  0.5  1.0000
  S   S1        1.0  0.3378183482285125  0.16890810729112535  0.5464023101086731  1.0000
  S   S2        1.0  0.8295422640132968  0.1647702212411182  0.547091800428797  1.0000
  S   S3        1.0  0.3378183478083173  0.6689081071392754  0.5464023100652464  1.0000
  S   S4        1.0  0.8295422639866126  0.6647702216601122  0.5470918004214501  1.0000
  S   S5        1.0  0.3378183482285125  0.16890810729112535  0.45359768989132637  1.0000
  S   S6        1.0  0.8295422640132968  0.1647702212411182  0.45290819957120276  1.0000
  S   S7        1.0  0.3378183478083173  0.6689081071392754  0.45359768993475363  1.0000
  S   S8        1.0  0.8295422639866126  0.6647702216601122  0.4529081995785501  1.0000