data_[Pr24Tl4Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.9736]
_cell_length_b [13.5286]
_cell_length_c [7.0078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr6TlCu3]
_chemical_formula_sum '[Pr24 Tl4 Cu12]'
_cell_volume [1135.1764]
_cell_formula_units_Z [4]
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  8  0.1616  0.4648  0.1789  1.0
  Pr  Pr1  8  0.2282  0.2054  0.3484  1.0
  Pr  Pr2  4  0.0000  0.0535  0.6163  1.0
  Pr  Pr3  4  0.0000  0.2266  0.0284  1.0
  Tl  Tl4  4  0.0000  0.3186  0.5122  1.0
  Cu  Cu5  8  0.1726  0.0831  0.9544  1.0
  Cu  Cu6  4  0.0000  0.4114  0.8652  1.0
]