data_[Ce4Tl6Zn2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2772]
_cell_length_b [12.5242]
_cell_length_c [8.1282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6680]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Tl3ZnSe6]
_chemical_formula_sum '[Ce4 Tl6 Zn2 Se12]'
_cell_volume [705.8778]
_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
[
  Ce  Ce0  4  0.0000  0.3340  0.0000  1.0
  Tl  Tl1  4  0.0000  0.1710  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Zn  Zn3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2249  0.1583  0.1986  1.0
  Se  Se5  4  0.2441  0.5000  0.2083  1.0
]