data_[In8Si8Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2691]
_cell_length_b [4.0371]
_cell_length_c [10.4733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2Si2Ni]
_chemical_formula_sum '[In8 Si8 Ni4]'
_cell_volume [368.1343]
_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  0.0085  0.0000  0.6826  1
  In  In1  4  0.2192  0.0000  0.1287  1
  Si  Si2  4  0.0158  0.5000  0.1175  1
  Si  Si3  4  0.1606  0.5000  0.5390  1
  Ni  Ni4  4  0.2190  0.5000  0.3325  1
]