data_[Ho4Se12O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [14.4577]
_cell_length_b [8.3218]
_cell_length_c [10.2921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.7680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ho(SeO3)3]
_chemical_formula_sum '[Ho4 Se12 O36]'
_cell_volume [991.9521]
_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  0.2466  0.2628  0.5013  1
  Se  Se1  4  0.0898  0.0410  0.6411  1
  Se  Se2  4  0.3857  0.3802  0.2998  1
  Se  Se3  4  0.4876  0.0269  0.2488  1
  O  O4  4  0.0063  0.3317  0.6561  1
  O  O5  4  0.0345  0.1124  0.9663  1
  O  O6  4  0.1123  0.4540  0.4117  1
  O  O7  4  0.1638  0.0909  0.2944  1
  O  O8  4  0.1882  0.1293  0.6281  1
  O  O9  4  0.3139  0.3954  0.3802  1
  O  O10  4  0.3671  0.4399  0.7089  1
  O  O11  4  0.4089  0.1012  0.3107  1
  O  O12  4  0.4128  0.1307  0.6303  1
]