data_[Pr16Tl8Cu24]
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 [Fmmm]
_cell_length_a [7.5482]
_cell_length_b [9.0855]
_cell_length_c [15.7075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pr2TlCu3]
_chemical_formula_sum '[Pr16 Tl8 Cu24]'
_cell_volume [1077.2058]
_cell_formula_units_Z [8]
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  0.2358  0.0000  0.0000  1.0
  Pr  Pr1  8  0.2500  0.2500  0.2500  1.0
  Tl  Tl2  8  0.0000  0.0000  0.3356  1.0
  Cu  Cu3  16  0.0000  0.2400  0.0794  1.0
  Cu  Cu4  8  0.0000  0.0000  0.1615  1.0
]