data_[Ho2Zr2Nb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6729]
_cell_length_b [3.6729]
_cell_length_c [10.6730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [HoZrNb]
_chemical_formula_sum '[Ho2 Zr2 Nb2]'
_cell_volume [143.9843]
_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  2  0.0000  0.0000  0.0042  1
  Zr  Zr1  2  0.0000  0.0000  0.3019  1
  Nb  Nb2  2  0.0000  0.0000  0.6939  1
]