data_[Ho4Ni4B12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.5802]
_cell_length_b [18.4652]
_cell_length_c [3.1732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [HoNiB3]
_chemical_formula_sum '[Ho4 Ni4 B12]'
_cell_volume [209.7763]
_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  4  0.0000  0.0795  0.2500  1
  Ni  Ni1  4  0.0000  0.2116  0.7500  1
  B  B2  4  0.0000  0.3203  0.7500  1
  B  B3  4  0.0000  0.3641  0.2500  1
  B  B4  4  0.0000  0.4767  0.2500  1
]