# generated using pymatgen
data_Cr11NiS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94254837
_cell_length_b   8.12883363
_cell_length_c   8.24612577
_cell_angle_alpha   93.80282362
_cell_angle_beta   91.27979029
_cell_angle_gamma   90.55142970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr11NiS16
_chemical_formula_sum   'Cr11 Ni1 S16'
_cell_volume   464.19938160
_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  0.23831200  0.01017800  0.52051900  1
  Cr  Cr1  1  0.98706200  0.25345100  0.26313100  1
  Cr  Cr2  1  0.73987400  0.51062600  0.01908200  1
  Cr  Cr3  1  0.48534300  0.76524900  0.76826500  1
  Cr  Cr4  1  0.01293800  0.74654900  0.73686900  1
  Cr  Cr5  1  0.76168800  0.98982200  0.47948100  1
  Cr  Cr6  1  0.51465700  0.23475100  0.23173500  1
  Cr  Cr7  1  0.26012600  0.48937400  0.98091800  1
  Cr  Cr8  1  0.75427900  0.24630600  0.75401900  1
  Cr  Cr9  1  0.50000000  0.50000000  0.50000000  1
  Cr  Cr10  1  0.24572100  0.75369400  0.24598100  1
  Ni  Ni11  1  0.00000000  0.00000000  0.00000000  1
  S  S12  1  0.24086300  0.95873100  0.79707000  1
  S  S13  1  0.99184600  0.20525400  0.54310100  1
  S  S14  1  0.74409500  0.45420200  0.29480600  1
  S  S15  1  0.49095500  0.70616100  0.04311100  1
  S  S16  1  0.00815400  0.79474600  0.45689900  1
  S  S17  1  0.75913700  0.04126900  0.20293000  1
  S  S18  1  0.50904500  0.29383900  0.95688900  1
  S  S19  1  0.25590500  0.54579800  0.70519400  1
  S  S20  1  0.50907500  0.20262100  0.53188700  1
  S  S21  1  0.25767800  0.45255800  0.27977400  1
  S  S22  1  0.00775000  0.70294700  0.02967800  1
  S  S23  1  0.75798400  0.95155300  0.77854300  1
  S  S24  1  0.74232200  0.54744200  0.72022600  1
  S  S25  1  0.49092500  0.79737900  0.46811300  1
  S  S26  1  0.24201600  0.04844700  0.22145700  1
  S  S27  1  0.99225000  0.29705300  0.97032200  1
