data_[Sr2Li8In16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [10.0812]
_cell_length_b [10.0812]
_cell_length_c [5.9101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sr(LiIn2)4]
_chemical_formula_sum '[Sr2 Li8 In16]'
_cell_volume [600.6452]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1
  Li  Li1  8  0.2500  0.2500  0.2500  1
  In  In2  8  0.0000  0.2221  0.5000  1
  In  In3  8  0.0000  0.3440  0.0000  1
]