data_[Tb3Y7Sc1]
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 [P3m1]
_cell_length_a [7.0334]
_cell_length_b [7.0334]
_cell_length_c [8.5500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb3Y7Sc]
_chemical_formula_sum '[Tb3 Y7 Sc1]'
_cell_volume [366.2951]
_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  3  0.1655  0.3310  0.7802  1
  Y  Y1  3  0.0021  0.5010  0.4499  1
  Y  Y2  3  0.3296  0.1648  0.1200  1
  Y  Y3  1  0.3333  0.6667  0.1181  1
  Sc  Sc4  1  0.0000  0.0000  0.4469  1
]