data_[Ho12B4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.0506]
_cell_length_b [13.6228]
_cell_length_c [6.5426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ho3BSe6]
_chemical_formula_sum '[Ho12 B4 Se24]'
_cell_volume [984.9223]
_cell_formula_units_Z [4]
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  0.1817  0.0999  0.0106  1.0
  Ho  Ho1  4  0.0000  0.4029  0.1229  1.0
  B  B2  4  0.0000  0.1972  0.4641  1.0
  Se  Se3  8  0.1521  0.2589  0.3220  1.0
  Se  Se4  8  0.1631  0.4640  0.8181  1.0
  Se  Se5  4  0.0000  0.0525  0.3439  1.0
  Se  Se6  4  0.0000  0.2094  0.7825  1.0
]