data_[In3Ni2S4]
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 [Pmm2]
_cell_length_a [3.8595]
_cell_length_b [6.5672]
_cell_length_c [19.9235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [In3(NiS2)2]
_chemical_formula_sum '[In3 Ni2 S4]'
_cell_volume [504.9865]
_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
[
  In  In0  2  0.0000  0.2693  0.6278  1
  In  In1  1  0.0000  0.0000  0.3993  1
  Ni  Ni2  2  0.5000  0.1995  0.4862  1
  S  S3  2  0.5000  0.2673  0.3806  1
  S  S4  1  0.5000  0.0000  0.5721  1
  S  S5  1  0.5000  0.5000  0.5394  1
]