data_[Na4Sr12Li2Ir2]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6618]
_cell_length_b [9.3912]
_cell_length_c [13.6456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2Sr6LiIr]
_chemical_formula_sum '[Na4 Sr12 Li2 Ir2]'
_cell_volume [865.4224]
_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
[
  Na  Na0  4  0.3596  0.6018  0.7350  1.0
  Sr  Sr1  4  0.0951  0.5385  0.2340  1.0
  Sr  Sr2  4  0.1751  0.2151  0.0482  1.0
  Sr  Sr3  4  0.3649  0.6517  0.0367  1.0
  Li  Li4  2  0.5000  0.0000  0.0000  1.0
  Ir  Ir5  2  0.0000  0.0000  0.5000  1.0
]