data_[Ho12Sb4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3579]
_cell_length_b [7.9082]
_cell_length_c [11.8102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ho6Sb2Ir]
_chemical_formula_sum '[Ho12 Sb4 Ir2]'
_cell_volume [509.4132]
_cell_formula_units_Z [2]
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  0.0903  0.6834  0.9547  1
  Ho  Ho1  4  0.3171  0.1779  0.9549  1
  Ho  Ho2  4  0.3757  0.5252  0.7456  1
  Sb  Sb3  4  0.1561  0.6160  0.2490  1
  Ir  Ir4  2  0.5000  0.0000  0.5000  1
]