# generated using pymatgen
data_Hf2NiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75132938
_cell_length_b   6.75132938
_cell_length_c   6.10366032
_cell_angle_alpha   63.75618202
_cell_angle_beta   63.75618202
_cell_angle_gamma   30.49735466
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NiS4
_chemical_formula_sum   'Hf2 Ni1 S4'
_cell_volume   125.48723755
_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
  Hf  Hf0  1  0.74489400  0.74489400  0.25393900  1.0
  Hf  Hf1  1  0.25510600  0.25510600  0.74606100  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1.0
  S  S3  1  0.11696800  0.11696800  0.20773700  1.0
  S  S4  1  0.61740900  0.61740900  0.71903000  1.0
  S  S5  1  0.38259100  0.38259100  0.28097000  1.0
  S  S6  1  0.88303200  0.88303200  0.79226300  1.0