data_image0
_chemical_formula_structural       AgTaS3
_chemical_formula_sum              "Ag1 Ta1 S3"
_cell_length_a       4.359007065639261
_cell_length_b       4.929161929701539
_cell_length_c       5.771515467154965
_cell_angle_alpha    78.31504185053744
_cell_angle_beta     90.08862459143695
_cell_angle_gamma    89.96377089772366

_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
  Ag  Ag1       1.0  0.0010616146276092124  0.22501036651288236  0.8817761196868676  1.0000
  Ta  Ta1       1.0  0.5000348183496014  0.5131582089514212  0.6004092192007462  1.0000
  S   S1        1.0  0.5000026388139223  0.9656465905458443  0.5763011323353853  1.0000
  S   S2        1.0  0.5012328273438283  0.35281834291078523  0.007581004553776809  1.0000
  S   S3        1.0  0.9997150237799067  0.46058520772338074  0.43627553070840575  1.0000