data_[Zr2H16Ir4Pd2]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9968]
_cell_length_b [3.9468]
_cell_length_c [5.9191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrH8Ir2Pd]
_chemical_formula_sum '[Zr2 H16 Ir4 Pd2]'
_cell_volume [196.0100]
_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  2  0.0000  0.5000  0.5000  1
  H  H1  8  0.1302  0.2533  0.2648  1
  H  H2  4  0.1264  0.0000  0.5253  1
  H  H3  4  0.1920  0.5000  0.8558  1
  Ir  Ir4  4  0.2437  0.0000  0.8120  1
  Pd  Pd5  2  0.0000  0.0000  0.0000  1
]