data_[Sr6Si10Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.0095]
_cell_length_b [12.6651]
_cell_length_c [10.2334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sr3Si5Ir6]
_chemical_formula_sum '[Sr6 Si10 Ir12]'
_cell_volume [519.6563]
_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  0.0000  0.3544  0.7490  1
  Sr  Sr1  2  0.0000  0.0000  0.7370  1
  Si  Si2  4  0.0000  0.1302  0.4930  1
  Si  Si3  4  0.0000  0.3211  0.1485  1
  Si  Si4  2  0.0000  0.0000  0.0817  1
  Ir  Ir5  4  0.0000  0.1710  0.9835  1
  Ir  Ir6  4  0.0000  0.3028  0.3936  1
  Ir  Ir7  2  0.0000  0.5000  0.0345  1
  Ir  Ir8  2  0.0000  0.5000  0.5026  1
]