data_[In3Ni6Sn3]
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 [Pmm2]
_cell_length_a [4.4319]
_cell_length_b [5.2225]
_cell_length_c [9.1359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [InNi2Sn]
_chemical_formula_sum '[In3 Ni6 Sn3]'
_cell_volume [211.4564]
_cell_formula_units_Z [3]
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  1  0.5000  0.0000  0.1661  1.0
  In  In1  1  0.5000  0.0000  0.8351  1.0
  In  In2  1  0.5000  0.5000  0.3329  1.0
  Ni  Ni3  2  0.0000  0.2502  0.2503  1.0
  Ni  Ni4  2  0.0000  0.2516  0.7491  1.0
  Ni  Ni5  1  0.0000  0.0000  0.0002  1.0
  Ni  Ni6  1  0.0000  0.5000  0.5009  1.0
  Sn  Sn7  1  0.0000  0.0000  0.4979  1.0
  Sn  Sn8  1  0.0000  0.5000  0.0017  1.0
  Sn  Sn9  1  0.5000  0.5000  0.6664  1.0
]