data_[Mg8H4Pb4]
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 [P2/c]
_cell_length_a [6.4010]
_cell_length_b [5.6692]
_cell_length_c [8.8370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Mg2HPb]
_chemical_formula_sum '[Mg8 H4 Pb4]'
_cell_volume [314.8331]
_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  4  0.0819  0.2536  0.0808  1
  Mg  Mg1  4  0.2455  0.2441  0.7544  1
  H  H2  4  0.0069  0.0885  0.8770  1
  Pb  Pb3  4  0.4108  0.2570  0.4168  1
]