data_[Na16Sr4Li4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7558]
_cell_length_b [8.1503]
_cell_length_c [6.2991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4SrLi]
_chemical_formula_sum '[Na16 Sr4 Li4]'
_cell_volume [908.4236]
_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
[
  Na  Na0  8  0.1102  0.2164  0.6069  1
  Na  Na1  4  0.0000  0.1891  0.0000  1
  Na  Na2  4  0.1635  0.5000  0.1684  1
  Sr  Sr3  4  0.2130  0.0000  0.2079  1
  Li  Li4  4  0.0019  0.5000  0.7321  1
]