data_[Tb2Zr6Sc12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.9586]
_cell_length_b [3.2164]
_cell_length_c [13.1200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(ZrSc2)3]
_chemical_formula_sum '[Tb2 Zr6 Sc12]'
_cell_volume [497.5234]
_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  2  0.0377  0.7500  0.7234  1.0
  Zr  Zr1  2  0.0753  0.7500  0.0944  1.0
  Zr  Zr2  2  0.3818  0.2500  0.4978  1.0
  Zr  Zr3  2  0.4267  0.7500  0.9046  1.0
  Sc  Sc4  2  0.1352  0.7500  0.4892  1.0
  Sc  Sc5  2  0.1949  0.2500  0.9293  1.0
  Sc  Sc6  2  0.2232  0.2500  0.2857  1.0
  Sc  Sc7  2  0.2796  0.2500  0.7037  1.0
  Sc  Sc8  2  0.3471  0.7500  0.1166  1.0
  Sc  Sc9  2  0.5000  0.2500  0.3115  1.0
]