# generated using pymatgen
data_CrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89246970
_cell_length_b   7.89246970
_cell_length_c   7.89246928
_cell_angle_alpha   22.38854802
_cell_angle_beta   22.38854802
_cell_angle_gamma   22.38854813
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrS2
_chemical_formula_sum   'Cr1 S2'
_cell_volume   62.55285859
_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  0.00000000  0.00000000  0.00000000  1.0
  S  S1  1  0.39728700  0.39728700  0.39728700  1.0
  S  S2  1  0.60271300  0.60271300  0.60271300  1.0