data_[Ho6Be45Ni6]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7750]
_cell_length_b [7.7750]
_cell_length_c [11.3459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ho2Be15Ni2]
_chemical_formula_sum '[Ho6 Be45 Ni6]'
_cell_volume [593.9753]
_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
[
  Ho  Ho0  6  0.0000  0.0000  0.3424  1.0
  Be  Be1  18  0.0000  0.2745  0.0000  1.0
  Be  Be2  18  0.0086  0.5043  0.8392  1.0
  Be  Be3  9  0.0000  0.5000  0.5000  1.0
  Ni  Ni4  6  0.0000  0.0000  0.1041  1.0
]