data_[Dy3Be51W3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Be  1.5700  1.0500  0.5900
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.4745]
_cell_length_b [7.4745]
_cell_length_c [10.8984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [DyBe17W]
_chemical_formula_sum '[Dy3 Be51 W3]'
_cell_volume [527.2926]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6610  1
  Be  Be1  18  0.0050  0.2915  0.9997  1
  Be  Be2  9  0.0030  0.5015  0.8410  1
  Be  Be3  9  0.0086  0.5043  0.1553  1
  Be  Be4  9  0.1683  0.8317  0.8349  1
  Be  Be5  3  0.0000  0.0000  0.1018  1
  Be  Be6  3  0.0000  0.0000  0.9086  1
  W  W7  3  0.0000  0.0000  0.3367  1
]