data_[Ho16Se24]
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 [C2/m]
_cell_length_a [14.2448]
_cell_length_b [3.9437]
_cell_length_c [18.9271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Se3]
_chemical_formula_sum '[Ho16 Se24]'
_cell_volume [1048.8027]
_cell_formula_units_Z [8]
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  0.0142  0.5000  0.8011  1.0
  Ho  Ho1  4  0.0995  0.0000  0.4591  1.0
  Ho  Ho2  4  0.2072  0.5000  0.0844  1.0
  Ho  Ho3  4  0.2313  0.5000  0.6806  1.0
  Se  Se4  4  0.0600  0.5000  0.5769  1.0
  Se  Se5  4  0.0708  0.0000  0.2999  1.0
  Se  Se6  4  0.0760  0.0000  0.1167  1.0
  Se  Se7  4  0.1569  0.5000  0.9344  1.0
  Se  Se8  4  0.1706  0.0000  0.7725  1.0
  Se  Se9  4  0.2334  0.5000  0.4226  1.0
]