data_[Ho4Fe6B12]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.5167]
_cell_length_b [8.8456]
_cell_length_c [3.4971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ho2(FeB2)3]
_chemical_formula_sum '[Ho4 Fe6 B12]'
_cell_volume [232.5235]
_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  0.0000  0.2856  0.0000  1
  Fe  Fe1  4  0.2072  0.0000  0.0000  1
  Fe  Fe2  2  0.0000  0.0000  0.5000  1
  B  B3  8  0.2332  0.1526  0.5000  1
  B  B4  4  0.1185  0.5000  0.5000  1
]