data_[Ho4Si6Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0753]
_cell_length_b [4.1185]
_cell_length_c [6.5734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Si3Ir2]
_chemical_formula_sum '[Ho4 Si6 Ir4]'
_cell_volume [245.8860]
_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  0.1509  0.0000  0.7736  1
  Si  Si1  4  0.1206  0.5000  0.4388  1
  Si  Si2  2  0.0000  0.5000  0.0000  1
  Ir  Ir3  4  0.1359  0.0000  0.2260  1
]