data_[Ho8Zr8Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.7834]
_cell_length_b [9.1464]
_cell_length_c [9.2979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [HoZrNi]
_chemical_formula_sum '[Ho8 Zr8 Ni8]'
_cell_volume [491.8324]
_cell_formula_units_Z [8]
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  8  0.0000  0.1744  0.5000  1.0
  Zr  Zr1  8  0.0000  0.0000  0.1723  1.0
  Ni  Ni2  8  0.2500  0.2500  0.2500  1.0
]