data_[Ho8Bi4Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.8953]
_cell_length_b [12.2686]
_cell_length_c [4.3756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ho4Bi2Ir]
_chemical_formula_sum '[Ho8 Bi4 Ir2]'
_cell_volume [423.8377]
_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  0.1272  0.6976  0.0000  1
  Ho  Ho1  4  0.2104  0.4425  0.5000  1
  Bi  Bi2  4  0.0805  0.1707  0.5000  1
  Ir  Ir3  2  0.0000  0.5000  0.0000  1
]