data_[Sr4H12Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [5.2851]
_cell_length_b [8.4131]
_cell_length_c [5.8406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrH3Ir]
_chemical_formula_sum '[Sr4 H12 Ir4]'
_cell_volume [258.5132]
_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
[
  Sr  Sr0  4  0.0000  0.3339  0.2500  1.0
  H  H1  8  0.2282  0.4059  0.9049  1.0
  Ir  Ir2  4  0.0000  0.0000  0.0000  1.0
  H  H3  4  0.0000  0.1183  0.7500  1.0
]