data_[Dy2Be16As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P6_3cm]
_cell_length_a [6.6589]
_cell_length_b [6.6589]
_cell_length_c [12.1946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [185]
_chemical_formula_structural [Dy(Be4As3)2]
_chemical_formula_sum '[Dy2 Be16 As12]'
_cell_volume [468.2763]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.4508  1
  Be  Be1  6  0.0000  0.3582  0.1131  1
  Be  Be2  6  0.0000  0.3726  0.2922  1
  Be  Be3  4  0.3333  0.6667  0.3855  1
  As  As4  6  0.0000  0.4184  0.4704  1
  As  As5  4  0.3333  0.6667  0.1985  1
  As  As6  2  0.0000  0.0000  0.1998  1
]