data_[Ho4Sc16Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8464]
_cell_length_b [12.7224]
_cell_length_c [19.9090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ho(Sc2Se3)2]
_chemical_formula_sum '[Ho4 Sc16 Se24]'
_cell_volume [974.2512]
_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  4  0.0000  0.3482  0.7500  1
  Sc  Sc1  8  0.0000  0.1422  0.0374  1
  Sc  Sc2  8  0.0000  0.4078  0.1244  1
  Se  Se3  8  0.0000  0.0487  0.1624  1
  Se  Se4  8  0.0000  0.2318  0.5890  1
  Se  Se5  4  0.0000  0.3164  0.2500  1
  Se  Se6  4  0.0000  0.5000  0.0000  1
]