data_[Ba4H10Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.6601]
_cell_length_b [5.6601]
_cell_length_c [8.3076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ba2H5Ir]
_chemical_formula_sum '[Ba4 H10 Ir2]'
_cell_volume [266.1479]
_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
[
  Ba  Ba0  4  0.0000  0.5000  0.2500  1.0
  H  H1  8  0.2122  0.2122  0.0022  1.0
  H  H2  2  0.0000  0.0000  0.7762  1.0
  Ir  Ir3  2  0.0000  0.0000  0.9924  1.0
]