data_[Mg4Zn4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1127]
_cell_length_b [3.3735]
_cell_length_c [6.8742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6263]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgZnH4]
_chemical_formula_sum '[Mg4 Zn4 H16]'
_cell_volume [267.7046]
_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  0.1996  0.0000  0.2928  1
  Zn  Zn1  4  0.0829  0.0000  0.7645  1
  H  H2  4  0.0545  0.0000  0.3491  1
  H  H3  4  0.1267  0.5000  0.7081  1
  H  H4  4  0.1467  0.0000  0.0094  1
  H  H5  4  0.2343  0.5000  0.3790  1
]