data_[Sr4Li4I12]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.8642]
_cell_length_b [25.2455]
_cell_length_c [7.7294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [SrLiI3]
_chemical_formula_sum '[Sr4 Li4 I12]'
_cell_volume [949.1641]
_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
[
  Sr  Sr0  4  0.2500  0.3320  0.7288  1.0
  Li  Li1  4  0.2500  0.1168  0.6453  1.0
  I  I2  4  0.2500  0.1170  0.0050  1.0
  I  I3  4  0.2500  0.2218  0.4755  1.0
  I  I4  4  0.2500  0.4219  0.0245  1.0
]