data_[In4Ni6S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.8122]
_cell_length_b [5.8122]
_cell_length_c [13.1094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [In2Ni3S4]
_chemical_formula_sum '[In4 Ni6 S8]'
_cell_volume [383.5261]
_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  4  0.3333  0.6667  0.1121  1
  Ni  Ni1  6  0.1659  0.3319  0.7500  1
  S  S2  4  0.0000  0.0000  0.1400  1
  S  S3  4  0.3333  0.6667  0.6394  1
]