data_[Ho4Fe5Si3]
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 [P4mm]
_cell_length_a [4.0291]
_cell_length_b [4.0291]
_cell_length_c [13.0414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Ho4Fe5Si3]
_chemical_formula_sum '[Ho4 Fe5 Si3]'
_cell_volume [211.7139]
_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  0.3384  1.0
  Ho  Ho1  1  0.0000  0.0000  0.8439  1.0
  Ho  Ho2  1  0.5000  0.5000  0.1596  1.0
  Ho  Ho3  1  0.5000  0.5000  0.6589  1.0
  Fe  Fe4  2  0.0000  0.5000  0.0010  1.0
  Fe  Fe5  2  0.0000  0.5000  0.5003  1.0
  Fe  Fe6  1  0.5000  0.5000  0.4050  1.0
  Si  Si7  1  0.0000  0.0000  0.0890  1.0
  Si  Si8  1  0.0000  0.0000  0.5925  1.0
  Si  Si9  1  0.5000  0.5000  0.9102  1.0
]