data_[Y6Be45Cu6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.8270]
_cell_length_b [7.8270]
_cell_length_c [11.4711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y2Be15Cu2]
_chemical_formula_sum '[Y6 Be45 Cu6]'
_cell_volume [608.5958]
_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
[
  Y  Y0  6  0.0000  0.0000  0.3436  1
  Be  Be1  18  0.0000  0.2782  0.0000  1
  Be  Be2  18  0.0053  0.5026  0.8381  1
  Be  Be3  9  0.0000  0.5000  0.5000  1
  Cu  Cu4  6  0.0000  0.0000  0.1035  1
]