data_[Sr12Li8Sn12]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.9428]
_cell_length_b [11.6703]
_cell_length_c [16.7331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3Li2Sn3]
_chemical_formula_sum '[Sr12 Li8 Sn12]'
_cell_volume [965.2370]
_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  8  0.0000  0.0962  0.6099  1
  Sr  Sr1  4  0.0000  0.3804  0.7500  1
  Li  Li2  8  0.0000  0.2103  0.0905  1
  Sn  Sn3  8  0.0000  0.3912  0.5423  1
  Sn  Sn4  4  0.0000  0.3229  0.2500  1
]