data_[Tb8Tm6Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.1120]
_cell_length_b [7.1654]
_cell_length_c [6.1984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb4Tm3Sc]
_chemical_formula_sum '[Tb8 Tm6 Sc2]'
_cell_volume [493.5256]
_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  0.2463  0.1290  0.9839  1.0
  Tb  Tb1  2  0.0000  0.1283  0.6440  1.0
  Tb  Tb2  2  0.0000  0.8719  0.1509  1.0
  Tm  Tm3  4  0.2493  0.6213  0.9790  1.0
  Tm  Tm4  2  0.0000  0.6220  0.6474  1.0
  Sc  Sc5  2  0.0000  0.3788  0.1473  1.0
]