data_[Ho3Be3Si6Ni12]
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
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8698]
_cell_length_b [3.8698]
_cell_length_c [23.8176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [HoBe(SiNi2)2]
_chemical_formula_sum '[Ho3 Be3 Si6 Ni12]'
_cell_volume [308.8909]
_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  3  0.0000  0.0000  0.0000  1.0
  Be  Be1  3  -0.0000  -0.0000  0.5000  1.0
  Si  Si2  6  0.0000  0.0000  0.2389  1.0
  Ni  Ni3  6  0.0000  0.0000  0.1369  1.0
  Ni  Ni4  6  0.0000  0.0000  0.4105  1.0
]