data_[La4H12Ir4]
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_1/c]
_cell_length_a [6.6244]
_cell_length_b [5.7664]
_cell_length_c [8.3926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaH3Ir]
_chemical_formula_sum '[La4 H12 Ir4]'
_cell_volume [251.3610]
_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  0.2516  0.7470  0.2482  1.0
  H  H1  4  0.0428  0.6253  0.8937  1.0
  H  H2  4  0.2476  0.2232  0.0411  1.0
  Ir  Ir3  4  0.2496  0.2493  0.2496  1.0
  H  H4  4  0.4583  0.6244  0.0987  1.0
]