data_[Mg1H6Ir1Pb1]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [4.7309]
_cell_length_b [4.7309]
_cell_length_c [5.4443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [MgH6IrPb]
_chemical_formula_sum '[Mg1 H6 Ir1 Pb1]'
_cell_volume [105.5257]
_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  0.3333  0.6667  0.5000  1
  H  H1  6  0.3913  0.0596  0.6992  1
  Ir  Ir2  1  0.6667  0.3333  0.5000  1
  Pb  Pb3  1  0.0000  0.0000  0.0000  1
]