data_[Sr16Li4Ir4]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8256]
_cell_length_b [14.4633]
_cell_length_c [6.8629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr4LiIr]
_chemical_formula_sum '[Sr16 Li4 Ir4]'
_cell_volume [915.5961]
_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  0.1029  0.1637  0.0539  1
  Sr  Sr1  8  0.2303  0.4263  0.3706  1
  Li  Li2  4  0.0000  0.3724  0.7500  1
  Ir  Ir3  4  0.0000  0.0002  0.2500  1
]