# generated using pymatgen
data_CrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83046614
_cell_length_b   6.83046614
_cell_length_c   15.73952668
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrS2
_chemical_formula_sum   'Cr12 S24'
_cell_volume   635.95002008
_cell_formula_units_Z   12
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  0.33333300  0.16666700  0.66666700  1
  Cr  Cr1  1  0.83333300  0.16666700  0.66666700  1
  Cr  Cr2  1  0.66666700  0.33333300  0.83333300  1
  Cr  Cr3  1  0.83333300  0.66666700  0.66666700  1
  Cr  Cr4  1  0.00000000  0.50000000  0.00000000  1
  Cr  Cr5  1  0.50000000  0.50000000  0.00000000  1
  Cr  Cr6  1  0.33333300  0.66666700  0.16666700  1
  Cr  Cr7  1  0.50000000  0.00000000  0.00000000  1
  Cr  Cr8  1  0.66666700  0.83333300  0.33333300  1
  Cr  Cr9  1  0.16666700  0.83333300  0.33333300  1
  Cr  Cr10  1  0.00000000  0.00000000  0.50000000  1
  Cr  Cr11  1  0.16666700  0.33333300  0.33333300  1
  S  S12  1  0.50359800  0.49640200  0.75043200  1
  S  S13  1  0.32613800  0.16306900  0.41709800  1
  S  S14  1  0.50359800  0.00719600  0.75043200  1
  S  S15  1  0.66666700  0.33333300  0.58411100  1
  S  S16  1  0.34052900  0.17026500  0.91623500  1
  S  S17  1  0.16306900  0.83693100  0.58290200  1
  S  S18  1  0.00000000  0.00000000  0.74922300  1
  S  S19  1  0.16306900  0.32613800  0.58290200  1
  S  S20  1  0.17026500  0.82973500  0.08376500  1
  S  S21  1  0.99280400  0.49640200  0.75043200  1
  S  S22  1  0.17026500  0.34052900  0.08376500  1
  S  S23  1  0.33333300  0.66666700  0.91744400  1
  S  S24  1  0.00719600  0.50359800  0.24956800  1
  S  S25  1  0.82973500  0.17026500  0.91623500  1
  S  S26  1  0.66666700  0.33333300  0.08255600  1
  S  S27  1  0.82973500  0.65947100  0.91623500  1
  S  S28  1  0.83693100  0.16306900  0.41709800  1
  S  S29  1  0.65947100  0.82973500  0.08376500  1
  S  S30  1  0.83693100  0.67386200  0.41709800  1
  S  S31  1  0.00000000  0.00000000  0.25077700  1
  S  S32  1  0.67386200  0.83693100  0.58290200  1
  S  S33  1  0.49640200  0.50359800  0.24956800  1
  S  S34  1  0.33333300  0.66666700  0.41588900  1
  S  S35  1  0.49640200  0.99280400  0.24956800  1
