data_[Pr12Tl4Te24]
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 [Cmc2_1]
_cell_length_a [12.4797]
_cell_length_b [15.4843]
_cell_length_c [7.5936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3TlTe6]
_chemical_formula_sum '[Pr12 Tl4 Te24]'
_cell_volume [1467.3905]
_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  0.1826  0.0954  0.5109  1
  Pr  Pr1  4  0.0000  0.4090  0.6246  1
  Tl  Tl2  4  0.0000  0.2051  0.9904  1
  Te  Te3  8  0.1640  0.4606  0.3215  1
  Te  Te4  8  0.1762  0.2716  0.7751  1
  Te  Te5  4  0.0000  0.0317  0.8165  1
  Te  Te6  4  0.0000  0.2254  0.3682  1
]