data_[Li2Y4Tl2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  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 [7.7455]
_cell_length_b [4.0026]
_cell_length_c [8.4933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiY2TlSe]
_chemical_formula_sum '[Li2 Y4 Tl2 Se2]'
_cell_volume [248.6605]
_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
[
  Li  Li0  2  0.4558  0.7500  0.3584  1.0
  Y  Y1  2  0.1163  0.2500  0.3916  1.0
  Y  Y2  2  0.2689  0.2500  0.9824  1.0
  Tl  Tl3  2  0.3184  0.7500  0.7055  1.0
  Se  Se4  2  0.1429  0.7500  0.1658  1.0
]