data_[Sr8Ho8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ho  1.2300  1.7500  1.0410
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.4861]
_cell_length_b [3.9826]
_cell_length_c [9.2506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrHoIr]
_chemical_formula_sum '[Sr8 Ho8 Ir8]'
_cell_volume [816.2708]
_cell_formula_units_Z [8]
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
[
  Sr  Sr0  4  0.0272  0.5000  0.2117  1
  Sr  Sr1  4  0.1076  0.0000  0.6038  1
  Ho  Ho2  4  0.1591  0.5000  0.9661  1
  Ho  Ho3  4  0.2058  0.5000  0.3729  1
  Ir  Ir4  4  0.2117  0.5000  0.6815  1
  Ir  Ir5  4  0.2293  0.0000  0.8763  1
]