data_[Pr16Tl4Te8]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3634]
_cell_length_b [14.7062]
_cell_length_c [15.1709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr4TlTe2]
_chemical_formula_sum '[Pr16 Tl4 Te8]'
_cell_volume [973.4923]
_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  0.0000  0.2187  0.6291  1.0
  Pr  Pr1  4  0.0000  0.0596  0.2500  1.0
  Pr  Pr2  4  0.0000  0.5000  0.0000  1.0
  Tl  Tl3  4  0.0000  0.4003  0.2500  1.0
  Te  Te4  8  0.0000  0.1420  0.0617  1.0
]