# generated using pymatgen
data_Cr5S6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94485124
_cell_length_b   5.94485124
_cell_length_c   11.46075508
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5S6
_chemical_formula_sum   'Cr10 S12'
_cell_volume   350.77274914
_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  0.66666700  0.33333300  0.49572600  1
  Cr  Cr1  1  0.66666700  0.33333300  0.00427400  1
  Cr  Cr2  1  0.00000000  0.00000000  0.25000000  1
  Cr  Cr3  1  0.33333300  0.66666700  0.50427400  1
  Cr  Cr4  1  0.33333300  0.66666700  0.99572600  1
  Cr  Cr5  1  0.00000000  0.00000000  0.75000000  1
  Cr  Cr6  1  0.00000000  0.00000000  0.50000000  1
  Cr  Cr7  1  0.66666700  0.33333300  0.75000000  1
  Cr  Cr8  1  0.33333300  0.66666700  0.25000000  1
  Cr  Cr9  1  0.00000000  0.00000000  0.00000000  1
  S  S10  1  0.33930200  0.00724900  0.87634000  1
  S  S11  1  0.00724900  0.66794700  0.12366000  1
  S  S12  1  0.66794700  0.00724900  0.62366000  1
  S  S13  1  0.33930200  0.33205300  0.62366000  1
  S  S14  1  0.33205300  0.99275100  0.37634000  1
  S  S15  1  0.99275100  0.33205300  0.87634000  1
  S  S16  1  0.33205300  0.33930200  0.12366000  1
  S  S17  1  0.00724900  0.33930200  0.37634000  1
  S  S18  1  0.66069800  0.66794700  0.37634000  1
  S  S19  1  0.66069800  0.99275100  0.12366000  1
  S  S20  1  0.99275100  0.66069800  0.62366000  1
  S  S21  1  0.66794700  0.66069800  0.87634000  1
