data_[In12Ni4Sn4]
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/m]
_cell_length_a [10.7300]
_cell_length_b [8.3987]
_cell_length_c [6.7145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.0062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In3NiSn]
_chemical_formula_sum '[In12 Ni4 Sn4]'
_cell_volume [476.7840]
_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  8  0.2487  0.3047  0.7197  1.0
  In  In1  4  0.0465  0.5000  0.8265  1.0
  Ni  Ni2  4  0.2422  0.0000  0.6233  1.0
  Sn  Sn3  4  0.0571  0.0000  0.7773  1.0
]