data_[Tb8Pr2Sc6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.9976]
_cell_length_b [7.1048]
_cell_length_c [6.1174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb4PrSc3]
_chemical_formula_sum '[Tb8 Pr2 Sc6]'
_cell_volume [477.9950]
_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  0.2441  0.8678  0.4869  1.0
  Tb  Tb1  2  0.0000  0.1309  0.6474  1.0
  Tb  Tb2  2  0.0000  0.8687  0.1371  1.0
  Pr  Pr3  2  0.0000  0.3811  0.1486  1.0
  Sc  Sc4  4  0.2488  0.3810  0.4788  1.0
  Sc  Sc5  2  0.0000  0.6211  0.6507  1.0
]