data_[Ho2Cu22Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.8183]
_cell_length_b [12.0011]
_cell_length_c [6.3666]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoCu11Ni]
_chemical_formula_sum '[Ho2 Cu22 Ni2]'
_cell_volume [343.4629]
_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  0.0000  1
  Cu  Cu1  8  0.1107  0.6104  0.2219  1
  Cu  Cu2  8  0.1682  0.1758  0.3564  1
  Cu  Cu3  4  0.2500  0.2500  0.0000  1
  Cu  Cu4  2  0.0000  0.5000  0.5000  1
  Ni  Ni5  2  0.0000  0.0000  0.5000  1
]