data_[Pr4Al1Tl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.8484]
_cell_length_b [5.9107]
_cell_length_c [8.8121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Pr4AlTl]
_chemical_formula_sum '[Pr4 Al1 Tl1]'
_cell_volume [200.4493]
_cell_formula_units_Z [1]
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  0.5000  0.2007  1
  Pr  Pr1  2  0.5000  0.0000  0.2784  1
  Al  Al2  1  0.0000  0.0000  0.0000  1
  Tl  Tl3  1  0.5000  0.5000  0.5000  1
]