data_[Tb3Y7Sc2]
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 [P2/m]
_cell_length_a [3.5938]
_cell_length_b [5.4663]
_cell_length_c [20.2682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb3Y7Sc2]
_chemical_formula_sum '[Tb3 Y7 Sc2]'
_cell_volume [396.5732]
_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  0.1712  0.0000  0.3369  1
  Tb  Tb1  1  0.5000  0.5000  0.0000  1
  Y  Y2  2  0.0706  0.5000  0.1371  1
  Y  Y3  2  0.2848  0.5000  0.5709  1
  Y  Y4  2  0.4087  0.0000  0.8219  1
  Y  Y5  1  0.0000  0.0000  0.0000  1
  Sc  Sc6  2  0.3591  0.5000  0.7246  1
]