data_[Ho4Sc4Nb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.3765]
_cell_length_b [3.3765]
_cell_length_c [26.8623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [HoScNb]
_chemical_formula_sum '[Ho4 Sc4 Nb4]'
_cell_volume [306.2455]
_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  0.0000  0.4372  1
  Sc  Sc1  4  0.0000  0.0000  0.1552  1
  Nb  Nb2  4  0.0000  0.0000  0.2749  1
]