data_[Tb4Y16Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9192]
_cell_length_b [15.9280]
_cell_length_c [5.8358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Y8Sc]
_chemical_formula_sum '[Tb4 Y16 Sc2]'
_cell_volume [705.1335]
_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  4  0.0000  0.3061  0.0000  1
  Y  Y1  8  0.2142  0.8857  0.1655  1
  Y  Y2  4  0.0000  0.2039  0.5000  1
  Y  Y3  4  0.0872  0.5000  0.2991  1
  Sc  Sc4  2  0.0000  0.0000  0.5000  1
]