data_[La4H4Ir4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9207]
_cell_length_b [4.0578]
_cell_length_c [4.4087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaHIr]
_chemical_formula_sum '[La4 H4 Ir4]'
_cell_volume [213.2096]
_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
[
  La  La0  4  0.1307  0.5000  0.7655  1.0
  Ir  Ir1  4  0.0838  0.0000  0.2198  1.0
  H  H2  4  0.1887  0.0000  0.4876  1.0
]