data_[Mg16H4Pb8]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.6514]
_cell_length_b [6.2969]
_cell_length_c [10.9742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Mg4HPb2]
_chemical_formula_sum '[Mg16 H4 Pb8]'
_cell_volume [597.8385]
_cell_formula_units_Z [4]
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  8  0.1460  0.0003  0.3435  1
  Mg  Mg1  4  0.0188  0.2500  0.8801  1
  Mg  Mg2  4  0.1936  0.7500  0.5983  1
  H  H3  4  0.2473  0.2500  0.9223  1
  Pb  Pb4  4  0.0456  0.7500  0.8497  1
  Pb  Pb5  4  0.1568  0.2500  0.6028  1
]