data_[Tb3Ho12Sc1]
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 [P4/mmm]
_cell_length_a [4.9765]
_cell_length_b [4.9765]
_cell_length_c [19.8462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Tb3Ho12Sc]
_chemical_formula_sum '[Tb3 Ho12 Sc1]'
_cell_volume [491.5072]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2479  1
  Tb  Tb1  1  0.0000  0.0000  0.5000  1
  Ho  Ho2  4  0.0000  0.5000  0.1211  1
  Ho  Ho3  4  0.0000  0.5000  0.3736  1
  Ho  Ho4  2  0.5000  0.5000  0.2471  1
  Ho  Ho5  1  0.5000  0.5000  0.0000  1
  Ho  Ho6  1  0.5000  0.5000  0.5000  1
  Sc  Sc7  1  0.0000  0.0000  0.0000  1
]