data_[La2Tl2Cd2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1834]
_cell_length_b [4.4060]
_cell_length_c [10.6594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaTlCdSe3]
_chemical_formula_sum '[La2 Tl2 Cd2 Se6]'
_cell_volume [373.1760]
_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
[
  La  La0  2  0.2167  0.2500  0.1228  1
  Tl  Tl1  2  0.2101  0.7500  0.7059  1
  Cd  Cd2  2  0.4301  0.7500  0.3866  1
  Se  Se3  2  0.0266  0.2500  0.8503  1
  Se  Se4  2  0.2607  0.2500  0.4327  1
  Se  Se5  2  0.4734  0.7500  0.1489  1
]