data_[Ho8Cd2Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.2374]
_cell_length_b [3.9767]
_cell_length_c [12.1586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ho4CdSe7]
_chemical_formula_sum '[Ho8 Cd2 Se14]'
_cell_volume [616.6272]
_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  0.1842  0.5000  0.7887  1
  Ho  Ho1  2  0.2977  0.0000  0.1886  1
  Ho  Ho2  2  0.3902  0.5000  0.5722  1
  Ho  Ho3  2  0.4923  0.5000  0.0032  1
  Cd  Cd4  2  0.1186  0.0000  0.4193  1
  Se  Se5  2  0.0265  0.5000  0.5340  1
  Se  Se6  2  0.0341  0.0000  0.7893  1
  Se  Se7  2  0.1537  0.5000  0.0456  1
  Se  Se8  2  0.2470  0.5000  0.3494  1
  Se  Se9  2  0.2645  0.0000  0.6446  1
  Se  Se10  2  0.3325  0.0000  0.9450  1
  Se  Se11  2  0.4587  0.5000  0.2200  1
]