data_[Li4Ni2Sn16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [20.8042]
_cell_length_b [4.2622]
_cell_length_c [6.2128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2NiSn8]
_chemical_formula_sum '[Li4 Ni2 Sn16]'
_cell_volume [528.6770]
_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
[
  Li  Li0  4  0.2081  0.0000  0.5985  1.0
  Ni  Ni1  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn2  4  0.0146  0.0000  0.2714  1.0
  Sn  Sn3  4  0.1052  0.5000  0.8030  1.0
  Sn  Sn4  4  0.1250  0.5000  0.3163  1.0
  Sn  Sn5  4  0.2072  0.0000  0.0895  1.0
]