data_image0
_chemical_formula_structural       Nb4S12
_chemical_formula_sum              "Nb4 S12"
_cell_length_a       5.022939744161999
_cell_length_b       6.771795034996855
_cell_length_c       36.245036402360235
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    89.99424591610064

_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  0.998586570058825  0.9978727434837135  0.5370009091433152  1.0000
  Nb  Nb2       1.0  0.4986927050986825  0.296126947678669  0.46299908665306827  1.0000
  Nb  Nb3       1.0  0.9984706443236963  0.5486369211614742  0.5391074844865539  1.0000
  Nb  Nb4       1.0  0.4988086192636338  0.7453627350943381  0.4608925187591255  1.0000
  S   S1        1.0  0.9986115044322739  0.761866445303213  0.48423027073735  1.0000
  S   S2        1.0  0.4986677516138036  0.5321331912284364  0.5157697322324296  1.0000
  S   S3        1.0  0.998609933163422  0.28066072461321717  0.48905232935138454  1.0000
  S   S4        1.0  0.49866933003975156  0.013339100930521805  0.5109476653413995  1.0000
  S   S5        1.0  0.19933494127646  0.7778831517721769  0.5859667802297195  1.0000
  S   S6        1.0  0.2979445174194551  0.5161164498380079  0.41403319846087355  1.0000
  S   S7        1.0  0.20077433203101466  0.26984951105826127  0.5788640672639452  1.0000
  S   S8        1.0  0.29650483363940566  0.02415002505328095  0.4211359478454275  1.0000
  S   S9        1.0  0.794971323361894  0.77796247188337  0.5856198146518566  1.0000
  S   S10       1.0  0.7023081636260473  0.5160371439657295  0.414380202388815  1.0000
  S   S11       1.0  0.7969059639282926  0.26984111523125354  0.5789857407518966  1.0000
  S   S12       1.0  0.7003732320256224  0.024158426258849706  0.4210142509059891  1.0000