data_[Mg2H5Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2434]
_cell_length_b [7.1424]
_cell_length_c [3.5732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Mg2H5Ir2]
_chemical_formula_sum '[Mg2 H5 Ir2]'
_cell_volume [82.7754]
_cell_formula_units_Z [1]
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
[
  Mg  Mg0  2  0.5000  0.2263  0.7205  1
  H  H1  2  0.0000  0.2478  0.2004  1
  Ir  Ir2  1  0.0000  0.0000  0.2319  1
  H  H3  1  0.0000  0.0000  0.7217  1
  Ir  Ir4  1  0.0000  0.5000  0.1309  1
  H  H5  1  0.0000  0.5000  0.6507  1
  H  H6  1  0.5000  0.5000  0.2744  1
]