data_[Tb4Pr2Sc2Tl4]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.0439]
_cell_length_b [9.8906]
_cell_length_c [6.9549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Tb2PrScTl2]
_chemical_formula_sum '[Tb4 Pr2 Sc2 Tl4]'
_cell_volume [346.9638]
_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  2  0.0000  0.1843  0.3463  1.0
  Tb  Tb1  2  0.5000  0.0498  0.0522  1.0
  Pr  Pr2  2  0.0000  0.4524  0.9537  1.0
  Sc  Sc3  2  0.5000  0.3020  0.6667  1.0
  Tl  Tl4  2  0.0000  0.1368  0.7927  1.0
  Tl  Tl5  2  0.5000  0.3740  0.2340  1.0
]