data_[La6H2Ir2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7634]
_cell_length_b [4.1511]
_cell_length_c [9.1330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La3HIrAu]
_chemical_formula_sum '[La6 H2 Ir2 Au2]'
_cell_volume [324.4835]
_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
[
  La  La0  2  0.1136  0.2500  0.8581  1.0
  La  La1  2  0.1995  0.7500  0.5230  1.0
  La  La2  2  0.4366  0.7500  0.1673  1.0
  H  H3  2  0.0760  0.2500  0.5809  1.0
  Ir  Ir4  2  0.3313  0.7500  0.8366  1.0
  Au  Au5  2  0.1770  0.2500  0.2410  1.0
]