data_[Ho4Er6Sc2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5367]
_cell_length_b [4.0091]
_cell_length_c [8.0518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Er3ScSe6]
_chemical_formula_sum '[Ho4 Er6 Sc2 Se12]'
_cell_volume [550.2774]
_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  4  0.1665  0.0000  0.3326  1.0
  Er  Er1  4  0.1694  0.0000  0.8353  1.0
  Er  Er2  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0017  0.0000  0.7584  1.0
  Se  Se5  4  0.1623  0.5000  0.0798  1.0
  Se  Se6  4  0.1661  0.5000  0.5841  1.0
]