data_[Dy4Mn4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Mn  1.5500  1.4000  0.6483
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5492]
_cell_length_b [11.6573]
_cell_length_c [4.7455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [DyMnH4]
_chemical_formula_sum '[Dy4 Mn4 H16]'
_cell_volume [196.3386]
_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
[
  Dy  Dy0  4  0.0000  0.1340  0.2797  1.0
  Mn  Mn1  4  0.0000  0.4094  0.2841  1.0
  H  H2  4  0.0000  0.0840  0.7800  1.0
  H  H3  4  0.0000  0.3034  0.5060  1.0
  H  H4  4  0.0000  0.3126  0.0386  1.0
  H  H5  4  0.0000  0.4663  0.6105  1.0
]