data_[Ho12Fe8Si12]
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 [Cmcm]
_cell_length_a [4.0629]
_cell_length_b [10.4836]
_cell_length_c [13.5520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ho3Fe2Si3]
_chemical_formula_sum '[Ho12 Fe8 Si12]'
_cell_volume [577.2331]
_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  8  0.0000  0.0809  0.1123  1.0
  Ho  Ho1  4  0.0000  0.3656  0.2500  1.0
  Fe  Fe2  8  0.0000  0.2150  0.5805  1.0
  Si  Si3  8  0.0000  0.3749  0.0399  1.0
  Si  Si4  4  0.0000  0.3239  0.7500  1.0
]