data_[Ho2Fe12Si7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [9.1196]
_cell_length_b [9.1196]
_cell_length_c [3.7321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Ho2Fe12Si7]
_chemical_formula_sum '[Ho2 Fe12 Si7]'
_cell_volume [268.8034]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Ho  Ho1  1  0.6667  0.3333  0.0000  1
  Fe  Fe2  3  0.0531  0.5135  0.0000  1
  Fe  Fe3  3  0.2223  0.7684  0.5000  1
  Fe  Fe4  3  0.2948  0.2251  0.0000  1
  Fe  Fe5  3  0.3709  0.0955  0.5000  1
  Si  Si6  3  0.0689  0.2748  0.0000  1
  Si  Si7  3  0.4491  0.3851  0.5000  1
  Si  Si8  1  0.3333  0.6667  0.0000  1
]