data_[Li4In4Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4175]
_cell_length_b [4.3122]
_cell_length_c [7.0026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.5878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2In2Sn]
_chemical_formula_sum '[Li4 In4 Sn2]'
_cell_volume [222.2859]
_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  0.2109  0.0000  0.8151  1.0
  In  In1  4  0.0991  0.5000  0.3990  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
]