data_[Ho8Sn8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8879]
_cell_length_b [4.4799]
_cell_length_c [10.9082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Sn2Ir]
_chemical_formula_sum '[Ho8 Sn8 Ir4]'
_cell_volume [478.7481]
_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  0.0033  0.0000  0.1726  1
  Ho  Ho1  4  0.1860  0.0000  0.6296  1
  Sn  Sn2  4  0.0330  0.5000  0.3847  1
  Sn  Sn3  4  0.1546  0.5000  0.0470  1
  Ir  Ir4  4  0.2232  0.5000  0.8238  1
]