data_[Tb16Ho2Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8638]
_cell_length_b [15.8713]
_cell_length_c [5.7751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.9707]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8HoSc2]
_chemical_formula_sum '[Tb16 Ho2 Sc4]'
_cell_volume [681.5950]
_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
[
  Tb  Tb0  8  0.2169  0.1200  0.1738  1
  Tb  Tb1  4  0.0000  0.2079  0.5000  1
  Tb  Tb2  4  0.0731  0.5000  0.2931  1
  Ho  Ho3  2  0.0000  0.0000  0.5000  1
  Sc  Sc4  4  0.0000  0.3101  0.0000  1
]