# generated using pymatgen
data_Cr11NiS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45774200
_cell_length_b   21.54469232
_cell_length_c   6.51802531
_cell_angle_alpha   86.21129255
_cell_angle_beta   74.61851267
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr11NiS16
_chemical_formula_sum   'Cr11 Ni1 S16'
_cell_volume   467.07357826
_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
  Cr  Cr0  1  0.44490900  0.17597700  0.11018200  1.0
  Cr  Cr1  1  0.69356400  0.42981100  0.61287100  1.0
  Cr  Cr2  1  0.94465900  0.67969600  0.11068100  1.0
  Cr  Cr3  1  0.19238000  0.93373000  0.61524000  1.0
  Cr  Cr4  1  0.80762000  0.06627000  0.38476000  1.0
  Cr  Cr5  1  0.05534100  0.32030400  0.88931900  1.0
  Cr  Cr6  1  0.30643600  0.57018900  0.38712900  1.0
  Cr  Cr7  1  0.55509100  0.82402300  0.88981800  1.0
  Cr  Cr8  1  0.25073400  0.24888600  0.49853200  1.0
  Cr  Cr9  1  0.50000000  0.50000000  0.00000000  1.0
  Cr  Cr10  1  0.74926600  0.75111400  0.50146800  1.0
  Ni  Ni11  1  0.00000000  0.00000000  0.00000000  1.0
  S  S12  1  0.98810900  0.11008600  0.02378100  1.0
  S  S13  1  0.23745000  0.36199500  0.52510000  1.0
  S  S14  1  0.48857200  0.61184200  0.02285600  1.0
  S  S15  1  0.73617100  0.86346600  0.52765800  1.0
  S  S16  1  0.26382900  0.13653400  0.47234200  1.0
  S  S17  1  0.51142800  0.38815800  0.97714400  1.0
  S  S18  1  0.76255000  0.63800500  0.47490000  1.0
  S  S19  1  0.01189100  0.88991400  0.97621900  1.0
  S  S20  1  0.61070700  0.24434800  0.77858500  1.0
  S  S21  1  0.86133400  0.49449400  0.27733200  1.0
  S  S22  1  0.11127800  0.74541000  0.77744400  1.0
  S  S23  1  0.36158100  0.99421800  0.27683700  1.0
  S  S24  1  0.63841900  0.00578200  0.72316300  1.0
  S  S25  1  0.88872200  0.25459000  0.22255600  1.0
  S  S26  1  0.13866600  0.50550600  0.72266800  1.0
  S  S27  1  0.38929300  0.75565200  0.22141500  1.0