data_[Mg10H2Ir2]
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 [Cm]
_cell_length_a [5.7765]
_cell_length_b [7.9211]
_cell_length_c [5.5444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg5HIr]
_chemical_formula_sum '[Mg10 H2 Ir2]'
_cell_volume [252.0645]
_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
[
  Mg  Mg0  4  0.1072  0.1889  0.6506  1
  Mg  Mg1  4  0.3382  0.3111  0.1051  1
  Mg  Mg2  2  0.4547  0.0000  0.3679  1
  H  H3  2  0.2300  0.5000  0.7593  1
  Ir  Ir4  2  0.4747  0.0000  0.8715  1
]