data_[Ho16Ge4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ge  2.0100  1.2500  0.7700
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.7883]
_cell_length_b [6.7883]
_cell_length_c [14.0025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Ho4GeIr]
_chemical_formula_sum '[Ho16 Ge4 Ir4]'
_cell_volume [645.2500]
_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  16  0.2332  0.2668  0.1200  1
  Ge  Ge1  4  0.0000  0.0000  0.2500  1
  Ir  Ir2  4  0.0000  0.5000  0.0000  1
]