# generated using pymatgen
data_CrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56335362
_cell_length_b   6.56335362
_cell_length_c   6.56335344
_cell_angle_alpha   62.71129593
_cell_angle_beta   62.71129593
_cell_angle_gamma   62.71129879
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrS2
_chemical_formula_sum   'Cr4 S8'
_cell_volume   211.98331665
_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  0.50000000  1.0
  Cr  Cr1  1  0.00000000  0.50000000  0.50000000  1.0
  Cr  Cr2  1  0.50000000  0.50000000  0.50000000  1.0
  Cr  Cr3  1  0.50000000  0.50000000  0.00000000  1.0
  S  S4  1  0.74323600  0.25402900  0.25402900  1.0
  S  S5  1  0.25402900  0.74323600  0.25402900  1.0
  S  S6  1  0.25402900  0.25402900  0.74323600  1.0
  S  S7  1  0.25077700  0.25077700  0.25077700  1.0
  S  S8  1  0.74597100  0.25676400  0.74597100  1.0
  S  S9  1  0.25676400  0.74597100  0.74597100  1.0
  S  S10  1  0.74922300  0.74922300  0.74922300  1.0
  S  S11  1  0.74597100  0.74597100  0.25676400  1.0