data_[Sr4Zn12Ir4]
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 [12.4317]
_cell_length_b [6.3473]
_cell_length_c [5.1905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrZn3Ir]
_chemical_formula_sum '[Sr4 Zn12 Ir4]'
_cell_volume [409.1933]
_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  4  0.1529  0.5000  0.4911  1
  Zn  Zn1  4  0.0000  0.3015  0.0000  1
  Zn  Zn2  4  0.0852  0.0000  0.6670  1
  Zn  Zn3  4  0.2500  0.2500  0.0000  1
  Ir  Ir4  4  0.1186  0.0000  0.1839  1
]