data_[Ho8Be24Cu80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [11.2435]
_cell_length_b [11.2435]
_cell_length_c [11.2435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [HoBe3Cu10]
_chemical_formula_sum '[Ho8 Be24 Cu80]'
_cell_volume [1421.3512]
_cell_formula_units_Z [8]
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
[
  Ho  Ho0  8  0.2500  0.2500  0.2500  1
  Be  Be1  24  0.0000  0.0000  0.2633  1
  Cu  Cu2  48  0.0000  0.1724  0.1724  1
  Cu  Cu3  32  0.1113  0.1113  0.3887  1
]