# generated using pymatgen
data_CrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73356701
_cell_length_b   3.31974784
_cell_length_c   10.71193000
_cell_angle_alpha   90.00000000
_cell_angle_beta   94.77205102
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrS2
_chemical_formula_sum   'Cr2 S4'
_cell_volume   203.18406465
_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  0.00000000  0.00000000  0.00000000  1
  Cr  Cr1  1  0.50000000  0.50000000  -0.00000000  1
  S  S2  1  0.81345200  0.50000000  0.87205800  1
  S  S3  1  0.18654800  0.50000000  0.12794200  1
  S  S4  1  0.31345200  0.00000000  0.87205800  1
  S  S5  1  0.68654800  0.00000000  0.12794200  1
