data_[In6Ni2]
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 [P2_1/m]
_cell_length_a [3.9723]
_cell_length_b [8.3989]
_cell_length_c [5.2281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [In3Ni]
_chemical_formula_sum '[In6 Ni2]'
_cell_volume [164.0919]
_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  0.3517  0.0508  0.7117  1.0
  In  In1  2  0.0499  0.2500  0.1186  1.0
  Ni  Ni2  2  0.2200  0.7500  0.4527  1.0
]