data_[K4Zr4Tl4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.6506]
_cell_length_b [3.9584]
_cell_length_c [11.9817]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KZrTlSe3]
_chemical_formula_sum '[K4 Zr4 Tl4 Se12]'
_cell_volume [742.2895]
_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  0.2352  0.2500  0.1150  1
  Zr  Zr1  4  0.0718  0.7500  0.3716  1
  Tl  Tl2  4  0.0756  0.7500  0.8692  1
  Se  Se3  4  0.0514  0.7500  0.6118  1
  Se  Se4  4  0.0696  0.7500  0.1545  1
  Se  Se5  4  0.1880  0.2500  0.3988  1
]