data_[Dy2Mg4Mo2H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Mg  1.3100  1.5000  0.8600
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.7639]
_cell_length_b [4.7639]
_cell_length_c [9.3050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [DyMg2MoH8]
_chemical_formula_sum '[Dy2 Mg4 Mo2 H16]'
_cell_volume [211.1757]
_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
[
  Dy  Dy0  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  2  0.0000  0.5000  0.7500  1.0
  Mo  Mo3  2  0.0000  0.5000  0.2500  1.0
  H  H4  16  0.2281  0.2563  0.1382  1.0
]