data_[In4Ni12Sn20]
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 [11.2232]
_cell_length_b [8.5901]
_cell_length_c [9.4441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InNi3Sn5]
_chemical_formula_sum '[In4 Ni12 Sn20]'
_cell_volume [808.3467]
_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  0.0960  0.0000  0.3063  1.0
  Ni  Ni1  4  0.1646  0.5000  0.6713  1.0
  Ni  Ni2  4  0.1674  0.5000  0.1684  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
  Ni  Ni4  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn5  8  0.1635  0.2099  0.6639  1.0
  Sn  Sn6  4  0.0000  0.2898  0.0000  1.0
  Sn  Sn7  4  0.0755  0.5000  0.3665  1.0
  Sn  Sn8  4  0.2354  0.0000  0.0252  1.0
]