data_[Sr6Zn8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2231]
_cell_length_b [4.4923]
_cell_length_c [9.1925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3(Zn2Ir)2]
_chemical_formula_sum '[Sr6 Zn8 Ir4]'
_cell_volume [432.4068]
_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  0.1234  0.5000  0.6882  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  4  0.1461  0.0000  0.4259  1.0
  Zn  Zn3  4  0.2222  0.5000  0.0680  1.0
  Ir  Ir4  4  0.1608  0.5000  0.3027  1.0
]