data_[Dy3Ti3Be51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ti  1.5400  1.4000  0.8517
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.5376]
_cell_length_b [7.5376]
_cell_length_c [10.9890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [DyTiBe17]
_chemical_formula_sum '[Dy3 Ti3 Be51]'
_cell_volume [540.7047]
_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  0.3393  1
  Ti  Ti1  3  0.0000  0.0000  0.6661  1
  Be  Be2  18  0.0482  0.3778  0.6669  1
  Be  Be3  9  0.0028  0.5014  0.4987  1
  Be  Be4  9  0.1687  0.3374  0.1765  1
  Be  Be5  9  0.1692  0.3384  0.4917  1
  Be  Be6  3  0.0000  0.0000  0.0932  1
  Be  Be7  3  0.0000  0.0000  0.8996  1
]