data_[Ho6Tm2Sc16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.9140]
_cell_length_b [10.5758]
_cell_length_c [10.9315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ho3TmSc8]
_chemical_formula_sum '[Ho6 Tm2 Sc16]'
_cell_volume [683.7192]
_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  0.0000  0.2486  0.0000  1
  Ho  Ho1  2  0.0000  0.0000  0.5000  1
  Tm  Tm2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  8  0.0000  0.2503  0.3252  1
  Sc  Sc4  8  0.2495  0.0000  0.2490  1
]