data_[Sr4Zn6Ir4]
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 [11.0442]
_cell_length_b [4.2828]
_cell_length_c [7.3687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Zn3Ir2]
_chemical_formula_sum '[Sr4 Zn6 Ir4]'
_cell_volume [305.3700]
_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  0.1401  0.0000  0.7699  1.0
  Zn  Zn1  4  0.1637  0.5000  0.4283  1.0
  Zn  Zn2  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir3  4  0.1258  0.0000  0.1948  1.0
]