# generated using pymatgen
data_Cr5NiS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99103336
_cell_length_b   3.44224465
_cell_length_c   10.90594926
_cell_angle_alpha   90.00000000
_cell_angle_beta   91.11132342
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5NiS8
_chemical_formula_sum   'Cr5 Ni1 S8'
_cell_volume   224.86675111
_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  0.51476200  0.50000000  0.24267500  1
  Cr  Cr1  1  0.01467200  0.00000000  0.73121700  1
  Cr  Cr2  1  0.98532800  0.00000000  0.26878300  1
  Cr  Cr3  1  0.48523800  0.50000000  0.75732500  1
  Cr  Cr4  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni5  1  0.50000000  0.50000000  0.50000000  1
  S  S6  1  0.67602400  0.00000000  0.12442400  1
  S  S7  1  0.17516300  0.50000000  0.61961700  1
  S  S8  1  0.82483700  0.50000000  0.38038300  1
  S  S9  1  0.32397600  0.00000000  0.87557600  1
  S  S10  1  0.15509000  0.50000000  0.13143200  1
  S  S11  1  0.65491100  0.00000000  0.63306600  1
  S  S12  1  0.34508900  0.00000000  0.36693400  1
  S  S13  1  0.84491000  0.50000000  0.86856800  1
