# generated using pymatgen
data_Cr8Fe3NiS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.11184443
_cell_length_b   12.11184443
_cell_length_c   12.11184485
_cell_angle_alpha   33.65556016
_cell_angle_beta   33.65556016
_cell_angle_gamma   33.65556429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr8Fe3NiS16
_chemical_formula_sum   'Cr8 Fe3 Ni1 S16'
_cell_volume   486.15587332
_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  0.74840100  0.74840100  0.74840100  1.0
  Cr  Cr1  1  0.25040100  0.25040100  0.25040100  1.0
  Cr  Cr2  1  0.99889100  0.50264500  0.50264500  1.0
  Cr  Cr3  1  0.49678900  0.00003700  0.00003700  1.0
  Cr  Cr4  1  0.50264500  0.99889100  0.50264500  1.0
  Cr  Cr5  1  0.00003700  0.49678900  0.00003700  1.0
  Cr  Cr6  1  0.50264500  0.50264500  0.99889100  1.0
  Cr  Cr7  1  0.00003700  0.00003700  0.49678900  1.0
  Fe  Fe8  1  0.56259600  0.56259600  0.56259600  1.0
  Fe  Fe9  1  0.43765600  0.43765600  0.43765600  1.0
  Fe  Fe10  1  0.93765600  0.93765600  0.93765600  1.0
  Ni  Ni11  1  0.06228400  0.06228400  0.06228400  1.0
  S  S12  1  0.12776300  0.12776300  0.12776300  1.0
  S  S13  1  0.62939200  0.62939200  0.62939200  1.0
  S  S14  1  0.38834400  0.86704700  0.86704700  1.0
  S  S15  1  0.89501200  0.36263600  0.36263600  1.0
  S  S16  1  0.86704700  0.38834400  0.86704700  1.0
  S  S17  1  0.36263600  0.89501200  0.36263600  1.0
  S  S18  1  0.86704700  0.86704700  0.38834400  1.0
  S  S19  1  0.36263600  0.36263600  0.89501200  1.0
  S  S20  1  0.37141400  0.37141400  0.37141400  1.0
  S  S21  1  0.87029200  0.87029200  0.87029200  1.0
  S  S22  1  0.10324900  0.63724100  0.63724100  1.0
  S  S23  1  0.60523800  0.13770500  0.13770500  1.0
  S  S24  1  0.63724100  0.10324900  0.63724100  1.0
  S  S25  1  0.13770500  0.60523900  0.13770500  1.0
  S  S26  1  0.63724100  0.63724100  0.10324900  1.0
  S  S27  1  0.13770500  0.13770500  0.60523800  1.0