data_[La2H6Ir2]
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 [P2/m]
_cell_length_a [4.4809]
_cell_length_b [4.1554]
_cell_length_c [6.6895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaH3Ir]
_chemical_formula_sum '[La2 H6 Ir2]'
_cell_volume [124.4576]
_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  1  0.0000  0.5000  0.5000  1
  La  La1  1  0.5000  0.0000  0.0000  1
  H  H2  2  0.2234  0.0000  0.6647  1
  H  H3  2  0.2707  0.5000  0.8334  1
  H  H4  2  0.2740  0.5000  0.1819  1
  Ir  Ir5  1  0.0000  0.5000  0.0000  1
  Ir  Ir6  1  0.5000  0.0000  0.5000  1
]