data_[Sr4Li12]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4738]
_cell_length_b [8.2077]
_cell_length_c [6.7563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrLi3]
_chemical_formula_sum '[Sr4 Li12]'
_cell_volume [469.9065]
_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  0.0286  0.7500  0.6271  1.0
  Li  Li1  8  0.1682  0.5594  0.0893  1.0
  Li  Li2  4  0.1225  0.2500  0.8532  1.0
]