data_[K2Tl2Te6As2]
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
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1794]
_cell_length_b [4.7617]
_cell_length_c [12.1792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTlTe3As]
_chemical_formula_sum '[K2 Tl2 Te6 As2]'
_cell_volume [471.9637]
_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  0.2760  0.7500  0.3266  1
  Tl  Tl1  2  0.2575  0.2500  0.9387  1
  Te  Te2  2  0.0237  0.2500  0.1659  1
  Te  Te3  2  0.1156  0.2500  0.5602  1
  Te  Te4  2  0.4746  0.7500  0.7991  1
  As  As5  2  0.1855  0.7500  0.6862  1
]