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 [13.2852]
_cell_length_b [3.9870]
_cell_length_c [12.1326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ho4CdSe7]
_chemical_formula_sum '[Ho8 Cd2 Se14]'
_cell_volume [620.8956]
_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  0.1935  0.5000  0.8040  1.0
  Ho  Ho1  2  0.3058  0.0000  0.1987  1.0
  Ho  Ho2  2  0.3848  0.5000  0.5714  1.0
  Ho  Ho3  2  0.5000  0.5000  0.0024  1.0
  Cd  Cd4  2  0.1159  0.0000  0.4218  1.0
  Se  Se5  2  0.0001  0.5000  0.5024  1.0
  Se  Se6  2  0.0382  0.0000  0.7852  1.0
  Se  Se7  2  0.1603  0.5000  0.0489  1.0
  Se  Se8  2  0.2421  0.5000  0.3509  1.0
  Se  Se9  2  0.2578  0.0000  0.6472  1.0
  Se  Se10  2  0.3395  0.0000  0.9490  1.0
  Se  Se11  2  0.4620  0.5000  0.2181  1.0
]