data_[H1Ir1Au1C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.3435]
_cell_length_b [3.3284]
_cell_length_c [4.8604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [HIrAuC]
_chemical_formula_sum '[H1 Ir1 Au1 C1]'
_cell_volume [51.9936]
_cell_formula_units_Z [1]
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
[
  H  H0  1  0.0266  0.0000  0.3537  1
  Ir  Ir1  1  0.9294  0.5000  0.4364  1
  Au  Au2  1  0.6848  0.0000  0.9399  1
  C  C3  1  0.5149  0.5000  0.6498  1
]