data_[Ho12Se18]
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
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [21.4018]
_cell_length_b [21.4018]
_cell_length_c [5.2401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [Ho2Se3]
_chemical_formula_sum '[Ho12 Se18]'
_cell_volume [2078.6085]
_cell_formula_units_Z [6]
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  3  0.3724  0.1126  0.8793  1
  Ho  Ho1  3  0.4045  0.2615  0.2945  1
  Ho  Ho2  3  0.4681  0.4061  0.7601  1
  Ho  Ho3  3  0.5329  0.1959  0.5238  1
  Se  Se4  3  0.3283  0.1050  0.3702  1
  Se  Se5  3  0.3554  0.2465  0.7989  1
  Se  Se6  3  0.4171  0.3995  0.2670  1
  Se  Se7  3  0.4612  0.0562  0.7079  1
  Se  Se8  3  0.5048  0.2237  0.0363  1
  Se  Se9  3  0.5431  0.3388  0.5508  1
]