# generated using pymatgen
data_Zr2NiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.31023474
_cell_length_b   3.69131505
_cell_length_c   6.32069579
_cell_angle_alpha   90.00000000
_cell_angle_beta   118.22919019
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NiS4
_chemical_formula_sum   'Zr4 Ni2 S8'
_cell_volume   273.61410261
_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
  Zr  Zr0  1  0.49922500  0.00000000  0.49566400  1
  Zr  Zr1  1  0.00269200  0.00000000  0.00909000  1
  Zr  Zr2  1  0.99922500  0.50000000  0.49566400  1
  Zr  Zr3  1  0.50269200  0.50000000  0.00909000  1
  Ni  Ni4  1  0.17600300  0.50000000  0.34271400  1
  Ni  Ni5  1  0.67600300  0.00000000  0.34271400  1
  S  S6  1  0.37383300  0.00000000  0.04083500  1
  S  S7  1  0.37249400  0.50000000  0.53687700  1
  S  S8  1  0.12675400  0.50000000  0.95450200  1
  S  S9  1  0.13145800  0.00000000  0.46946800  1
  S  S10  1  0.87383300  0.50000000  0.04083500  1
  S  S11  1  0.87249400  0.00000000  0.53687700  1
  S  S12  1  0.62675400  0.00000000  0.95450200  1
  S  S13  1  0.63145800  0.50000000  0.46946800  1
