data_[K2Tl2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3868]
_cell_length_b [4.7455]
_cell_length_c [7.8510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTlSe]
_chemical_formula_sum '[K2 Tl2 Se2]'
_cell_volume [219.4790]
_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
[
  K  K0  2  0.2160  0.7500  0.9108  1.0
  Tl  Tl1  2  0.2265  0.7500  0.4291  1.0
  Se  Se2  2  0.3504  0.2500  0.2286  1.0
]