data_[Dy4Mg4B16]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.0520]
_cell_length_b [11.7062]
_cell_length_c [3.6552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [DyMgB4]
_chemical_formula_sum '[Dy4 Mg4 B16]'
_cell_volume [258.9586]
_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  0.1269  0.1505  0.0000  1
  Mg  Mg1  4  0.1370  0.4103  0.0000  1
  B  B2  4  0.0291  0.6937  0.5000  1
  B  B3  4  0.1145  0.5471  0.5000  1
  B  B4  4  0.1318  0.9703  0.5000  1
  B  B5  4  0.2072  0.8115  0.5000  1
]