data_[Ho4Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.4245]
_cell_length_b [6.4245]
_cell_length_c [5.2874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [HoZn]
_chemical_formula_sum '[Ho4 Zn4]'
_cell_volume [188.9969]
_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  3  0.3397  0.1699  0.5000  1
  Ho  Ho1  1  0.0000  0.0000  0.0000  1
  Zn  Zn2  3  0.5184  0.0367  0.0000  1
  Zn  Zn3  1  0.3333  0.6667  0.5000  1
]