data_[Li4Y12In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3210]
_cell_length_b [4.6371]
_cell_length_c [15.0036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(YIn)3]
_chemical_formula_sum '[Li4 Y12 In12]'
_cell_volume [744.0793]
_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
[
  Li  Li0  4  0.2415  0.0000  0.3984  1
  Y  Y1  4  0.0378  0.5000  0.3845  1
  Y  Y2  4  0.0972  0.5000  0.9192  1
  Y  Y3  4  0.2376  0.5000  0.2213  1
  In  In4  4  0.0279  0.0000  0.2365  1
  In  In5  4  0.1209  0.0000  0.0736  1
  In  In6  4  0.1343  0.0000  0.5532  1
]