data_[Ge4H4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8641]
_cell_length_b [2.9164]
_cell_length_c [3.9103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GeHIr]
_chemical_formula_sum '[Ge4 H4 Ir4]'
_cell_volume [144.7385]
_cell_formula_units_Z [4]
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
[
  Ge  Ge0  4  0.1818  0.5000  0.7019  1
  H  H1  4  0.0347  0.5000  0.2456  1
  Ir  Ir2  4  0.1074  0.0000  0.1600  1
]