data_[Ho12Be4Ir8]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.1187]
_cell_length_b [3.9409]
_cell_length_c [11.4988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ho3BeIr2]
_chemical_formula_sum '[Ho12 Be4 Ir8]'
_cell_volume [503.8546]
_cell_formula_units_Z [4]
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  4  0.0586  0.2500  0.6202  1
  Ho  Ho1  4  0.1227  0.7500  0.0580  1
  Ho  Ho2  4  0.2015  0.2500  0.3064  1
  Be  Be3  4  0.1264  0.2500  0.8702  1
  Ir  Ir4  4  0.0332  0.7500  0.8185  1
  Ir  Ir5  4  0.1935  0.7500  0.4818  1
]