data_[Tb4Y2Sc2]
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 [Pm]
_cell_length_a [6.0818]
_cell_length_b [3.5282]
_cell_length_c [11.4106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tb2YSc]
_chemical_formula_sum '[Tb4 Y2 Sc2]'
_cell_volume [241.2069]
_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  1  0.1105  0.0000  0.3886  1.0
  Tb  Tb1  1  0.2701  0.0000  0.8974  1.0
  Tb  Tb2  1  0.6160  0.5000  0.3986  1.0
  Tb  Tb3  1  0.7739  0.5000  0.8845  1.0
  Y  Y4  1  0.3522  0.5000  0.6419  1.0
  Y  Y5  1  0.6932  0.0000  0.1415  1.0
  Sc  Sc6  1  0.1923  0.5000  0.1428  1.0
  Sc  Sc7  1  0.8586  0.0000  0.6409  1.0
]