# generated using pymatgen
data_Nb6Cu4SeS11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.40269034
_cell_length_b   8.99038888
_cell_length_c   13.00528130
_cell_angle_alpha   90.26592280
_cell_angle_beta   90.01106979
_cell_angle_gamma   79.06536147
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Cu4SeS11
_chemical_formula_sum   'Nb6 Cu4 Se1 S11'
_cell_volume   390.62358088
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  Nb0  1  0.44559412  0.10852383  0.25065544  1.0
  Nb  Nb1  1  0.77692440  0.44573133  0.25059434  1.0
  Nb  Nb2  1  0.11036181  0.77884751  0.24899606  1.0
  Nb  Nb3  1  0.88786111  0.22449422  0.74860254  1.0
  Nb  Nb4  1  0.22288793  0.55410303  0.74908070  1.0
  Nb  Nb5  1  0.55421701  0.89108571  0.74774468  1.0
  Cu  Cu6  1  0.44565735  0.10837497  0.03667657  1.0
  Cu  Cu7  1  0.22796433  0.54541209  0.96388213  1.0
  Cu  Cu8  1  0.88596930  0.22792370  0.53653571  1.0
  Cu  Cu9  1  0.11514663  0.77343585  0.46260541  1.0
  Se  Se10  1  0.10612765  0.78787100  0.88021934  1.0
  S  S11  1  0.44614725  0.10844872  0.62629369  1.0
  S  S12  1  0.77534351  0.44991637  0.62880789  1.0
  S  S13  1  0.11140364  0.77710672  0.63130013  1.0
  S  S14  1  0.88834461  0.22244286  0.36814309  1.0
  S  S15  1  0.22274188  0.55329923  0.36946952  1.0
  S  S16  1  0.55327294  0.89339917  0.37242480  1.0
  S  S17  1  0.88674154  0.22509815  0.12926048  1.0
  S  S18  1  0.22239831  0.55405130  0.13184426  1.0
  S  S19  1  0.55709356  0.88430755  0.12915808  1.0
  S  S20  1  0.44334638  0.11413651  0.86688035  1.0
  S  S21  1  0.78111976  0.43865817  0.87082377  1.0