data_[Ho6Ti6Fe45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4464]
_cell_length_b [8.4464]
_cell_length_c [12.5455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ho2Ti2Fe15]
_chemical_formula_sum '[Ho6 Ti6 Fe45]'
_cell_volume [775.1174]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3495  1
  Ti  Ti1  6  0.0000  0.0000  0.1025  1
  Fe  Fe2  18  0.0000  0.3025  0.0000  1
  Fe  Fe3  18  0.0022  0.5011  0.1581  1
  Fe  Fe4  9  0.0000  0.5000  0.5000  1
]