data_[K8Pr4Tl4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4067]
_cell_length_b [12.7711]
_cell_length_c [8.7466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.2084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2PrTlSe4]
_chemical_formula_sum '[K8 Pr4 Tl4 Se16]'
_cell_volume [993.4057]
_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
[
  K  K0  4  0.0000  0.5000  0.0000  1
  K  K1  4  0.2500  0.2500  0.0000  1
  Pr  Pr2  4  0.2500  0.2500  0.5000  1
  Tl  Tl3  4  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.0015  0.2437  0.0232  1
  Se  Se5  8  0.2165  0.0098  0.4733  1
]