# generated using pymatgen
data_Ba2HfS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94717783
_cell_length_b   4.94717791
_cell_length_c   8.66386342
_cell_angle_alpha   106.58585755
_cell_angle_beta   106.58585887
_cell_angle_gamma   90.00205759
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2HfS4
_chemical_formula_sum   'Ba2 Hf1 S4'
_cell_volume   193.99780296
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.35778869  0.35778873  0.71560457  1.0
  Ba  Ba1  1  0.64221132  0.64221129  0.28439544  1.0
  Hf  Hf2  1  0.00000056  -0.00000052  -0.00000002  1.0
  S  S3  1  -0.00000016  0.50000024  -0.00000001  1.0
  S  S4  1  0.49999974  0.00000013  -0.00000000  1.0
  S  S5  1  0.83870201  0.83870214  0.67728256  1.0
  S  S6  1  0.16129785  0.16129799  0.32271746  1.0