data_[Zr4Si2H2Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.6833]
_cell_length_b [6.4252]
_cell_length_c [8.2455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Zr2SiHIr6]
_chemical_formula_sum '[Zr4 Si2 H2 Ir12]'
_cell_volume [301.0975]
_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
[
  Zr  Zr0  4  0.0000  0.0000  0.2730  1
  Si  Si1  2  0.0000  0.5000  0.0000  1
  Ir  Ir2  8  0.2478  0.2148  0.0000  1
  Ir  Ir3  4  0.0000  0.5000  0.2704  1
  H  H4  2  0.0000  0.5000  0.5000  1
]