data_[Mg5H1Ir4]
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 [P-1]
_cell_length_a [4.6617]
_cell_length_b [5.0434]
_cell_length_c [6.6838]
_cell_angle_alpha [76.3008]
_cell_angle_beta [78.5053]
_cell_angle_gamma [85.8991]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg5HIr4]
_chemical_formula_sum '[Mg5 H1 Ir4]'
_cell_volume [149.5600]
_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  0.2556  0.8536  0.9885  1
  Mg  Mg1  2  0.3477  0.4324  0.7350  1
  Mg  Mg2  1  0.5000  0.0000  0.5000  1
  Ir  Ir3  2  0.0617  0.7682  0.4171  1
  Ir  Ir4  2  0.2102  0.3117  0.1896  1
  H  H5  1  0.0000  0.5000  0.0000  1
]