data_[In6Ni14]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6213]
_cell_length_b [3.8564]
_cell_length_c [5.3093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In3Ni7]
_chemical_formula_sum '[In6 Ni14]'
_cell_volume [268.4914]
_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  0.1941  0.0000  0.6246  1
  In  In1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  4  0.0981  0.5000  0.3141  1
  Ni  Ni3  4  0.0988  0.5000  0.8156  1
  Ni  Ni4  4  0.1999  0.0000  0.1097  1
  Ni  Ni5  2  0.0000  0.0000  0.5000  1
]