data_[Sr16Ag4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3085]
_cell_length_b [5.6460]
_cell_length_c [7.6266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr8Ag2Ir]
_chemical_formula_sum '[Sr16 Ag4 Ir2]'
_cell_volume [841.1380]
_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
[
  Sr  Sr0  4  0.0305  0.0000  0.8082  1.0
  Sr  Sr1  4  0.0864  0.5000  0.4043  1.0
  Sr  Sr2  4  0.1517  0.5000  0.9611  1.0
  Sr  Sr3  4  0.2129  0.0000  0.3168  1.0
  Ag  Ag4  4  0.1880  0.0000  0.7245  1.0
  Ir  Ir5  2  0.0000  0.5000  0.0000  1.0
]