# generated using pymatgen
data_CrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42317782
_cell_length_b   5.42317782
_cell_length_c   9.81912414
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrS2
_chemical_formula_sum   'Cr4 S8'
_cell_volume   288.78886250
_cell_formula_units_Z   4
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  0.50000000  0.00000000  0.75000000  1
  Cr  Cr1  1  0.00000000  0.00000000  0.00000000  1
  Cr  Cr2  1  0.00000000  0.50000000  0.25000000  1
  Cr  Cr3  1  0.50000000  0.50000000  0.50000000  1
  S  S4  1  0.28031800  0.25000000  0.62500000  1
  S  S5  1  0.75000000  0.21968200  0.87500000  1
  S  S6  1  0.71968200  0.75000000  0.62500000  1
  S  S7  1  0.25000000  0.78031800  0.87500000  1
  S  S8  1  0.78031800  0.75000000  0.12500000  1
  S  S9  1  0.25000000  0.71968200  0.37500000  1
  S  S10  1  0.21968200  0.25000000  0.12500000  1
  S  S11  1  0.75000000  0.28031800  0.37500000  1
