data_[Ho20Mg8Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.1117]
_cell_length_b [7.3819]
_cell_length_c [7.2055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ho5(MgNi)2]
_chemical_formula_sum '[Ho20 Mg8 Ni8]'
_cell_volume [910.1747]
_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  16  0.1110  0.1819  0.3240  1
  Ho  Ho1  4  0.0000  0.0000  0.0000  1
  Mg  Mg2  8  0.2283  0.0000  0.0000  1
  Ni  Ni3  8  0.0000  0.1229  0.6197  1
]