data_[Mg1H3Ir2]
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 [Pm]
_cell_length_a [3.7920]
_cell_length_b [2.8108]
_cell_length_c [5.6861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MgH3Ir2]
_chemical_formula_sum '[Mg1 H3 Ir2]'
_cell_volume [60.6049]
_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  1  0.4456  0.5000  0.2500  1
  H  H1  1  0.3182  0.0000  0.5649  1
  Ir  Ir2  1  0.4466  0.5000  0.7369  1
  H  H3  1  0.8060  0.5000  0.5839  1
  Ir  Ir4  1  0.9337  0.0000  0.9927  1
  H  H5  1  0.9857  0.0000  0.2740  1
]