# generated using pymatgen
data_In2NiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46027905
_cell_length_b   7.46027905
_cell_length_c   7.46027905
_cell_angle_alpha   120.47959266
_cell_angle_beta   118.72708824
_cell_angle_gamma   90.69503893
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiS4
_chemical_formula_sum   'In4 Ni2 S8'
_cell_volume   295.24771332
_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
  In  In0  1  0.61519000  0.86519000  0.75000000  1.0
  In  In1  1  0.00000000  0.50000000  0.50000000  1.0
  In  In2  1  0.50000000  0.50000000  0.00000000  1.0
  In  In3  1  0.38481000  0.13481000  0.25000000  1.0
  Ni  Ni4  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni5  1  0.00000000  0.50000000  0.00000000  1.0
  S  S6  1  0.20388300  0.74828300  0.45560000  1.0
  S  S7  1  0.79268400  0.74828300  0.04440000  1.0
  S  S8  1  0.77444300  0.76621600  0.49177400  1.0
  S  S9  1  0.77444300  0.28266900  0.00822600  1.0
  S  S10  1  0.22555700  0.71733100  0.99177400  1.0
  S  S11  1  0.22555700  0.23378400  0.50822600  1.0
  S  S12  1  0.20731600  0.25171700  0.95560000  1.0
  S  S13  1  0.79611700  0.25171700  0.54440000  1.0