data_[Ho2Mn4Al16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2678]
_cell_length_b [10.4403]
_cell_length_c [4.6603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho(MnAl4)2]
_chemical_formula_sum '[Ho2 Mn4 Al16]'
_cell_volume [392.1539]
_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  0.5000  1
  Mn  Mn1  4  0.0000  0.2903  0.0000  1
  Al  Al2  8  0.2217  0.1304  0.0988  1
  Al  Al3  4  0.0000  0.2838  0.5000  1
  Al  Al4  4  0.1102  0.5000  0.2634  1
]