data_[Ho4Al4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0425]
_cell_length_b [4.1940]
_cell_length_c [4.9806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoAlNi]
_chemical_formula_sum '[Ho4 Al4 Ni4]'
_cell_volume [226.0150]
_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  4  0.1232  0.0000  0.3104  1.0
  Al  Al1  4  0.0928  0.5000  0.8015  1.0
  Ni  Ni2  4  0.2084  0.0000  0.8548  1.0
]