data_[In4Ni4Sn16]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9490]
_cell_length_b [10.7668]
_cell_length_c [5.6637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2559]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [InNiSn4]
_chemical_formula_sum '[In4 Ni4 Sn16]'
_cell_volume [598.7939]
_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
[
  In  In0  4  0.0000  0.4384  0.2500  1.0
  Ni  Ni1  4  0.0000  0.0024  0.2500  1.0
  Sn  Sn2  8  0.0974  0.1973  0.5312  1.0
  Sn  Sn3  8  0.2243  0.0924  0.0647  1.0
]