data_[Ho60Cd30Se120]
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 [R3m]
_cell_length_a [8.3575]
_cell_length_b [8.3575]
_cell_length_c [101.7740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ho2CdSe4]
_chemical_formula_sum '[Ho60 Cd30 Se120]'
_cell_volume [6156.2881]
_cell_formula_units_Z [30]
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  9  0.0013  0.5007  0.9749  1
  Ho  Ho1  9  0.0041  0.5020  0.1750  1
  Ho  Ho2  9  0.0055  0.5027  0.7748  1
  Ho  Ho3  9  0.0056  0.5028  0.3749  1
  Ho  Ho4  9  0.1667  0.3335  0.9083  1
  Ho  Ho5  3  0.0000  0.0000  0.2749  1
  Ho  Ho6  3  0.0000  0.0000  0.3995  1
  Ho  Ho7  3  0.0000  0.0000  0.7994  1
  Ho  Ho8  3  0.0000  0.0000  0.8749  1
  Ho  Ho9  3  0.0000  0.0000  0.9996  1
  Cd  Cd10  3  0.0000  0.0000  0.0756  1
  Cd  Cd11  3  0.0000  0.0000  0.1507  1
  Cd  Cd12  3  0.0000  0.0000  0.1998  1
  Cd  Cd13  3  0.0000  0.0000  0.3505  1
  Cd  Cd14  3  0.0000  0.0000  0.4757  1
  Cd  Cd15  3  0.0000  0.0000  0.5502  1
  Cd  Cd16  3  0.0000  0.0000  0.5999  1
  Cd  Cd17  3  0.0000  0.0000  0.6758  1
  Cd  Cd18  3  0.0000  0.0000  0.7506  1
  Cd  Cd19  3  0.0000  0.0000  0.9499  1
  Se  Se20  9  0.0197  0.5098  0.9245  1
  Se  Se21  9  0.0203  0.5101  0.5245  1
  Se  Se22  9  0.0215  0.5108  0.3244  1
  Se  Se23  9  0.0227  0.5113  0.7243  1
  Se  Se24  9  0.0227  0.5114  0.1244  1
  Se  Se25  9  0.1758  0.3516  0.3589  1
  Se  Se26  9  0.1759  0.3518  0.7589  1
  Se  Se27  9  0.1762  0.3523  0.1590  1
  Se  Se28  9  0.1764  0.3527  0.9588  1
  Se  Se29  9  0.1767  0.3534  0.5589  1
  Se  Se30  3  0.0000  0.0000  0.0264  1
  Se  Se31  3  0.0000  0.0000  0.1237  1
  Se  Se32  3  0.0000  0.0000  0.2264  1
  Se  Se33  3  0.0000  0.0000  0.3236  1
  Se  Se34  3  0.0000  0.0000  0.4264  1
  Se  Se35  3  0.0000  0.0000  0.5237  1
  Se  Se36  3  0.0000  0.0000  0.6265  1
  Se  Se37  3  0.0000  0.0000  0.7237  1
  Se  Se38  3  0.0000  0.0000  0.8264  1
  Se  Se39  3  0.0000  0.0000  0.9235  1
]