data_[Ho12Se10]
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 [6.9716]
_cell_length_b [11.9959]
_cell_length_c [6.9472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6Se5]
_chemical_formula_sum '[Ho12 Se10]'
_cell_volume [547.0397]
_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  8  0.2421  0.1641  0.2425  1
  Ho  Ho1  4  0.2428  0.0000  0.7456  1
  Se  Se2  4  0.0000  0.1735  0.5000  1
  Se  Se3  4  0.0000  0.3362  0.0000  1
  Se  Se4  2  0.0000  0.5000  0.5000  1
]