data_[Pr12Tl2Si4Te6]
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
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5767]
_cell_length_b [4.4113]
_cell_length_c [9.1178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6TlSi2Te3]
_chemical_formula_sum '[Pr12 Tl2 Si4 Te6]'
_cell_volume [761.5048]
_cell_formula_units_Z [2]
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  4  0.0084  0.0000  0.2592  1.0
  Pr  Pr1  4  0.1694  0.5000  0.1049  1.0
  Pr  Pr2  4  0.1732  0.5000  0.5672  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Si  Si4  4  0.1673  0.0000  0.3333  1.0
  Te  Te5  4  0.1642  0.0000  0.8317  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]