# generated using pymatgen
data_CrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22970536
_cell_length_b   6.22970536
_cell_length_c   6.22970536
_cell_angle_alpha   128.39535215
_cell_angle_beta   128.39535215
_cell_angle_gamma   75.98544294
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrS2
_chemical_formula_sum   'Cr2 S4'
_cell_volume   144.39443878
_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  0.75000000  0.25000000  0.50000000  1.0
  Cr  Cr1  1  0.00000000  0.00000000  0.00000000  1.0
  S  S2  1  0.87500000  0.90531800  0.53031800  1.0
  S  S3  1  0.09468200  0.62500000  0.96968200  1.0
  S  S4  1  0.37500000  0.34468200  0.46968200  1.0
  S  S5  1  0.65531800  0.12500000  0.03031800  1.0