# generated using pymatgen
data_Cr11NiS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.56911398
_cell_length_b   3.45774151
_cell_length_c   21.54469286
_cell_angle_alpha   90.00000000
_cell_angle_beta   93.92967221
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr11NiS16
_chemical_formula_sum   'Cr22 Ni2 S32'
_cell_volume   934.14702011
_cell_formula_units_Z   2
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  0.55509100  0.00000000  0.82402300  1
  Cr  Cr1  1  0.80643600  0.50000000  0.57018900  1
  Cr  Cr2  1  0.55534100  0.50000000  0.32030400  1
  Cr  Cr3  1  0.80762000  0.00000000  0.06627000  1
  Cr  Cr4  1  0.69238000  0.50000000  0.93373000  1
  Cr  Cr5  1  0.94465900  0.00000000  0.67969600  1
  Cr  Cr6  1  0.69356400  0.00000000  0.42981100  1
  Cr  Cr7  1  0.94490900  0.50000000  0.17597700  1
  Cr  Cr8  1  0.74926600  0.00000000  0.75111400  1
  Cr  Cr9  1  0.00000000  0.50000000  0.50000000  1
  Cr  Cr10  1  0.75073400  0.50000000  0.24888600  1
  Cr  Cr11  1  0.05509100  0.50000000  0.82402300  1
  Cr  Cr12  1  0.30643600  0.00000000  0.57018900  1
  Cr  Cr13  1  0.05534100  0.00000000  0.32030400  1
  Cr  Cr14  1  0.30762000  0.50000000  0.06627000  1
  Cr  Cr15  1  0.19238000  0.00000000  0.93373000  1
  Cr  Cr16  1  0.44465900  0.50000000  0.67969600  1
  Cr  Cr17  1  0.19356400  0.50000000  0.42981100  1
  Cr  Cr18  1  0.44490900  0.00000000  0.17597700  1
  Cr  Cr19  1  0.24926600  0.50000000  0.75111400  1
  Cr  Cr20  1  0.50000000  0.00000000  0.50000000  1
  Cr  Cr21  1  0.25073400  0.00000000  0.24888600  1
  Ni  Ni22  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni23  1  0.50000000  0.50000000  -0.00000000  1
  S  S24  1  0.51189100  0.50000000  0.88991400  1
  S  S25  1  0.76255000  0.00000000  0.63800500  1
  S  S26  1  0.51142800  0.00000000  0.38815800  1
  S  S27  1  0.76382900  0.50000000  0.13653400  1
  S  S28  1  0.73617100  0.00000000  0.86346600  1
  S  S29  1  0.98857200  0.50000000  0.61184200  1
  S  S30  1  0.73745000  0.50000000  0.36199500  1
  S  S31  1  0.98810900  0.00000000  0.11008600  1
  S  S32  1  0.88929300  0.50000000  0.75565200  1
  S  S33  1  0.63866600  0.50000000  0.50550600  1
  S  S34  1  0.88872200  0.00000000  0.25459000  1
  S  S35  1  0.63841900  0.00000000  0.00578200  1
  S  S36  1  0.86158100  0.50000000  0.99421800  1
  S  S37  1  0.61127800  0.50000000  0.74541000  1
  S  S38  1  0.86133400  0.00000000  0.49449400  1
  S  S39  1  0.61070700  0.00000000  0.24434800  1
  S  S40  1  0.01189100  0.00000000  0.88991400  1
  S  S41  1  0.26255000  0.50000000  0.63800500  1
  S  S42  1  0.01142800  0.50000000  0.38815800  1
  S  S43  1  0.26382900  0.00000000  0.13653400  1
  S  S44  1  0.23617100  0.50000000  0.86346600  1
  S  S45  1  0.48857200  0.00000000  0.61184200  1
  S  S46  1  0.23745000  0.00000000  0.36199500  1
  S  S47  1  0.48810900  0.50000000  0.11008600  1
  S  S48  1  0.38929300  0.00000000  0.75565200  1
  S  S49  1  0.13866600  0.00000000  0.50550600  1
  S  S50  1  0.38872200  0.50000000  0.25459000  1
  S  S51  1  0.13841900  0.50000000  0.00578200  1
  S  S52  1  0.36158100  0.00000000  0.99421800  1
  S  S53  1  0.11127800  0.00000000  0.74541000  1
  S  S54  1  0.36133400  0.50000000  0.49449400  1
  S  S55  1  0.11070700  0.50000000  0.24434800  1
