data_[Ho24Mn40H96]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [11.2644]
_cell_length_b [11.2644]
_cell_length_c [11.2644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Ho3Mn5H12]
_chemical_formula_sum '[Ho24 Mn40 H96]'
_cell_volume [1429.3142]
_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  24  0.0000  0.2500  0.1250  1
  Mn  Mn1  24  0.0000  0.2500  0.3750  1
  Mn  Mn2  16  0.0000  0.0000  0.0000  1
  H  H3  96  0.0272  0.0540  0.6378  1
]