data_[Dy3Ta3Be51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.5163]
_cell_length_b [7.5163]
_cell_length_c [10.9824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [DyTaBe17]
_chemical_formula_sum '[Dy3 Ta3 Be51]'
_cell_volume [537.3205]
_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  0.6614  1
  Ta  Ta1  3  0.0000  0.0000  0.3353  1
  Be  Be2  18  0.0033  0.2880  0.9996  1
  Be  Be3  9  0.0028  0.5014  0.8410  1
  Be  Be4  9  0.0054  0.5027  0.1563  1
  Be  Be5  9  0.1688  0.8312  0.8355  1
  Be  Be6  3  0.0000  0.0000  0.0994  1
  Be  Be7  3  0.0000  0.0000  0.9077  1
]