# generated using pymatgen
data_CrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06442999
_cell_length_b   3.06442999
_cell_length_c   23.07482306
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrS2
_chemical_formula_sum   'Cr3 S6'
_cell_volume   187.65857710
_cell_formula_units_Z   3
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  0.66666700  0.33333300  0.33333300  1
  Cr  Cr2  1  0.33333300  0.66666700  0.66666700  1
  S  S3  1  0.33333300  0.66666700  0.06395300  1
  S  S4  1  0.33333300  0.66666700  0.26938000  1
  S  S5  1  0.00000000  0.00000000  0.39728700  1
  S  S6  1  0.00000000  0.00000000  0.60271300  1
  S  S7  1  0.66666700  0.33333300  0.73062000  1
  S  S8  1  0.66666700  0.33333300  0.93604700  1
