data_[Pr4Ho2Sc2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  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 [5.0127]
_cell_length_b [10.0547]
_cell_length_c [6.9712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Pr2HoScTl2]
_chemical_formula_sum '[Pr4 Ho2 Sc2 Tl4]'
_cell_volume [351.3596]
_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  0.1884  0.8336  1
  Pr  Pr1  2  0.5000  0.0484  0.5610  1
  Ho  Ho2  2  0.0000  0.4560  0.4586  1
  Sc  Sc3  2  0.5000  0.3130  0.1669  1
  Tl  Tl4  2  0.0000  0.1536  0.2957  1
  Tl  Tl5  2  0.5000  0.3895  0.7298  1
]