data_[Pu2Mg4H14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.2966]
_cell_length_b [9.2599]
_cell_length_c [3.4687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [PuMg2H7]
_chemical_formula_sum '[Pu2 Mg4 H14]'
_cell_volume [202.2453]
_cell_formula_units_Z [2]
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
[
  Pu  Pu0  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  4  0.0000  0.3062  0.5000  1
  H  H2  8  0.1727  0.1191  0.5000  1
  H  H3  4  0.0000  0.2418  0.0000  1
  H  H4  2  0.0000  0.5000  0.5000  1
]