data_[Ho48B16Se32]
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 [Fddd]
_cell_length_a [8.0416]
_cell_length_b [11.2706]
_cell_length_c [23.6576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Ho3BSe2]
_chemical_formula_sum '[Ho48 B16 Se32]'
_cell_volume [2144.1871]
_cell_formula_units_Z [16]
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  32  0.0154  0.2339  0.0898  1
  Ho  Ho1  16  0.0352  0.2500  0.2500  1
  B  B2  16  0.0000  0.0000  0.0838  1
  Se  Se3  16  0.0000  0.0000  0.2538  1
  Se  Se4  16  0.0000  0.0000  0.4206  1
]