data_[Zr2H2Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9982]
_cell_length_b [5.7372]
_cell_length_c [5.7396]
_cell_angle_alpha [91.1258]
_cell_angle_beta [90.0186]
_cell_angle_gamma [90.0307]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ZrHIr3]
_chemical_formula_sum '[Zr2 H2 Ir6]'
_cell_volume [131.6318]
_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  1  0.7545  0.3512  0.4248  1.0
  Zr  Zr1  1  0.7545  0.8695  0.9014  1.0
  Ir  Ir2  1  0.2511  0.6061  0.1610  1.0
  Ir  Ir3  1  0.2526  0.1122  0.6661  1.0
  Ir  Ir4  1  0.2528  0.1152  0.1581  1.0
  Ir  Ir5  1  0.2532  0.6073  0.6653  1.0
  H  H6  1  0.2758  0.8742  0.3667  1.0
  H  H7  1  0.7159  0.5857  0.1390  1.0
  Ir  Ir8  1  0.7554  0.8576  0.4147  1.0
  Ir  Ir9  1  0.7558  0.3584  0.9110  1.0
]