data_[Tb7Tm1Sc4]
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 [P-1]
_cell_length_a [6.0404]
_cell_length_b [6.9688]
_cell_length_c [8.5592]
_cell_angle_alpha [90.0753]
_cell_angle_beta [103.7096]
_cell_angle_gamma [90.0268]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb7TmSc4]
_chemical_formula_sum '[Tb7 Tm1 Sc4]'
_cell_volume [350.0265]
_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  0.2226  0.9998  0.6637  1
  Tb  Tb1  2  0.2847  0.2553  0.3393  1
  Tb  Tb2  2  0.4967  0.7450  0.0055  1
  Tb  Tb3  1  0.0000  0.5000  0.0000  1
  Tm  Tm4  1  0.0000  0.0000  0.0000  1
  Sc  Sc5  2  0.2160  0.5003  0.6602  1
  Sc  Sc6  2  0.2745  0.7452  0.3369  1
]