data_[K2Mg2Tl2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  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 [8.5042]
_cell_length_b [4.0902]
_cell_length_c [11.1838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7625]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMgTlSe3]
_chemical_formula_sum '[K2 Mg2 Tl2 Se6]'
_cell_volume [370.4697]
_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  0.2340  0.2500  0.2368  1.0
  Mg  Mg1  2  0.3504  0.7500  0.9138  1.0
  Tl  Tl2  2  0.1589  0.2500  0.6448  1.0
  Se  Se3  2  0.1031  0.2500  0.8624  1.0
  Se  Se4  2  0.2172  0.7500  0.5084  1.0
  Se  Se5  2  0.4821  0.7500  0.1570  1.0
]