data_[Al4In4Ni4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [Imma]
_cell_length_a [7.2279]
_cell_length_b [7.3032]
_cell_length_c [10.2927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [AlInNiS4]
_chemical_formula_sum '[Al4 In4 Ni4 S16]'
_cell_volume [543.3171]
_cell_formula_units_Z [4]
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
[
  Al  Al0  4  0.0000  0.2500  0.8702  1
  In  In1  4  0.0000  0.0000  0.5000  1
  Ni  Ni2  4  0.2500  0.2500  0.2500  1
  S  S3  8  0.0000  0.0215  0.2478  1
  S  S4  8  0.2452  0.2500  0.0143  1
]