# generated using pymatgen
data_Dy2HfS5
_symmetry_space_group_name_H-M   Pnma
_cell_length_a   11.54747678
_cell_length_b   7.73539856
_cell_length_c   7.24994971
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   62
_chemical_formula_structural   Dy2HfS5
_chemical_formula_sum   'Dy8 Hf4 S20'
_cell_volume   647.59693848
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x+1/2, -y, z+1/2'
  4  'x+1/2, y, -z+1/2'
  5  'x+1/2, -y+1/2, -z+1/2'
  6  '-x+1/2, y+1/2, z+1/2'
  7  '-x, y+1/2, -z'
  8  'x, -y+1/2, 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
  Dy  Dy0  8  0.178425  0.502547  0.023665  1
  Hf  Hf1  4  0.005921  0.250000  0.575485  1
  S  S2  8  0.093689  0.536167  0.661044  1
  S  S3  4  0.003317  0.250000  0.946622  1
  S  S4  4  0.181205  0.250000  0.332947  1
  S  S5  4  0.207171  0.750000  0.311740  1
