data_image0
_chemical_formula_structural       Nb4S12
_chemical_formula_sum              "Nb4 S12"
_cell_length_a       5.0071603861112735
_cell_length_b       6.788635457155878
_cell_length_c       9.343246867817365
_cell_angle_alpha    90.03926556235803
_cell_angle_beta     96.9130466208309
_cell_angle_gamma    89.98231078357237

_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
  Nb  Nb1       1.0  0.7148926355  0.40157171589999996  0.3462936459  1.0000
  Nb  Nb2       1.0  0.7178009265  0.8509412771999999  0.35532676599999996  1.0000
  Nb  Nb3       1.0  0.2821986987  0.14905813370000004  0.6446733419999999  1.0000
  Nb  Nb4       1.0  0.2851089866  0.5984276947  0.6537064604999999  1.0000
  S   S1        1.0  0.8703917042  0.6311548069999999  0.16067961489999996  1.0000
  S   S2        1.0  0.46807767949999995  0.6319587244999999  0.16619944859999997  1.0000
  S   S3        1.0  0.8799355114999999  0.12238108  0.18897087929999998  1.0000
  S   S4        1.0  0.477308989  0.12177979429999998  0.1914012232  1.0000
  S   S5        1.0  0.2356064134  0.3854827887  0.4379577451  1.0000
  S   S6        1.0  0.2404519322  0.866029482  0.4571321266  1.0000
  S   S7        1.0  0.7595494447999999  0.1339699282  0.5428669017  1.0000
  S   S8        1.0  0.7643932117999999  0.6145166221999998  0.5620423629  1.0000
  S   S9        1.0  0.5226906362  0.8782196165999999  0.8085988847999999  1.0000
  S   S10       1.0  0.12006411379999996  0.8776183307999998  0.8110292286999999  1.0000
  S   S11       1.0  0.5319219454999999  0.36804215939999996  0.8338006596999998  1.0000
  S   S12       1.0  0.1296099178  0.3688446036  0.8393204915  1.0000