# generated using pymatgen
data_HfCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04678745
_cell_length_b   7.04625049
_cell_length_c   6.96048592
_cell_angle_alpha   60.54378729
_cell_angle_beta   60.54276261
_cell_angle_gamma   61.67685884
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrS4
_chemical_formula_sum   'Hf2 Cr2 S8'
_cell_volume   249.39408960
_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
  Hf  Hf0  1  0.00005800  0.49999800  0.50017000  1.0
  Hf  Hf1  1  0.50004600  0.00010100  0.50010500  1.0
  Cr  Cr2  1  0.50022200  0.50011400  0.49986600  1.0
  Cr  Cr3  1  0.49975100  0.49979500  0.00008800  1.0
  S  S4  1  0.74358300  0.74361100  0.76198000  1.0
  S  S5  1  0.25640700  0.25640400  0.74941500  1.0
  S  S6  1  0.27923400  0.72961400  0.24552300  1.0
  S  S7  1  0.72958400  0.27923500  0.24551200  1.0
  S  S8  1  0.72080500  0.27026200  0.75438300  1.0
  S  S9  1  0.27022100  0.72082300  0.75441100  1.0
  S  S10  1  0.25633000  0.25632400  0.23812500  1.0
  S  S11  1  0.74375200  0.74372400  0.25041100  1.0