data_[Ca4La4H24Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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/c]
_cell_length_a [7.9013]
_cell_length_b [9.7665]
_cell_length_c [6.0091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaLa(H3Ir)2]
_chemical_formula_sum '[Ca4 La4 H24 Ir8]'
_cell_volume [447.3277]
_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
[
  Ca  Ca0  4  0.0000  0.4047  0.7500  1.0
  La  La1  4  0.0000  0.1550  0.2500  1.0
  H  H2  8  0.0894  0.3843  0.1353  1.0
  H  H3  8  0.1857  0.2498  0.6240  1.0
  Ir  Ir4  8  0.1903  0.1274  0.8189  1.0
  H  H5  8  0.1923  0.0065  0.0519  1.0
]