data_image0
_chemical_formula_structural       Ti2Be2Cu4S8
_chemical_formula_sum              "Ti2 Be2 Cu4 S8"
_cell_length_a       7.3145999370459736
_cell_length_b       6.244339411222415
_cell_length_c       6.00894761962388
_cell_angle_alpha    90.00001030493262
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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
  Ti  Ti1       1.0  0.49999999999999983  0.16341575733486255  0.4985108045429374  1.0000
  Ti  Ti2       1.0  2.0773005019678337e-17  0.8365845866990346  0.9985109330500653  1.0000
  Be  Be1       1.0  0.49999999999999994  0.8274106490296397  0.9919527259278155  1.0000
  Be  Be2       1.0  2.4162526322800157e-17  0.17258942183045498  0.4919526461776423  1.0000
  Cu  Cu1       1.0  0.7526238034596081  0.6810123294115272  0.47820361628641367  1.0000
  Cu  Cu2       1.0  0.247376196540392  0.6810123294115272  0.47820361628641367  1.0000
  Cu  Cu3       1.0  0.7473761155718043  0.3189874963640713  0.9782034375847259  1.0000
  Cu  Cu4       1.0  0.25262388442819483  0.3189874963640713  0.9782034375847259  1.0000
  S   S1        1.0  0.49999999999999983  0.1418218800734365  0.11809462519603388  1.0000
  S   S2        1.0  2.2109552512530332e-17  0.8581782357789834  0.618094581513171  1.0000
  S   S3        1.0  0.49999999999999994  0.8269818756125349  0.6397967442930361  1.0000
  S   S4        1.0  2.43839257896107e-17  0.1730180136394318  0.13979665879475223  1.0000
  S   S5        1.0  0.7348276981386499  0.6648845160584863  0.10347215851995388  1.0000
  S   S6        1.0  0.26517230186134944  0.6648845160584863  0.10347215851995388  1.0000
  S   S7        1.0  0.7651721967010212  0.335115488227391  0.603472039155303  1.0000
  S   S8        1.0  0.23482780329897832  0.335115488227391  0.603472039155303  1.0000