data_[Yb4Mg4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.7472]
_cell_length_b [13.1459]
_cell_length_c [5.3285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [YbMgH4]
_chemical_formula_sum '[Yb4 Mg4 H16]'
_cell_volume [262.4859]
_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
[
  Yb  Yb0  4  0.0000  0.1613  0.2697  1.0
  Mg  Mg1  4  0.0000  0.4154  0.2139  1.0
  H  H2  4  0.0000  0.0808  0.6662  1.0
  H  H3  4  0.0000  0.2949  0.0049  1.0
  H  H4  4  0.0000  0.3280  0.4988  1.0
  H  H5  4  0.0000  0.4516  0.8475  1.0
]