data_[Pr4Er2Sc2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  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 [5.0244]
_cell_length_b [10.0617]
_cell_length_c [6.9365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Pr2ErScTl2]
_chemical_formula_sum '[Pr4 Er2 Sc2 Tl4]'
_cell_volume [350.6649]
_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
[
  Pr  Pr0  2  0.0000  0.1900  0.3332  1.0
  Pr  Pr1  2  0.5000  0.0473  0.0603  1.0
  Er  Er2  2  0.0000  0.4588  0.9582  1.0
  Sc  Sc3  2  0.5000  0.3141  0.6680  1.0
  Tl  Tl4  2  0.0000  0.1546  0.7966  1.0
  Tl  Tl5  2  0.5000  0.3882  0.2293  1.0
]